2-cyclohexyl-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]acetamide

Update Time: 2025-04-25 17:03:18

	Common Name	2-cyclohexyl-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]acetamide	English Name	2-cyclohexyl-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]acetamide
	CAS NO.	N/A	Molecular Weight	402.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₃H₃₁FN₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-cyclohexyl-N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]acetamide

Molecular Formula	C23H31FN2O3
Molecular Weight	402.5
Exact Mass	402.23187102
LogP	4.40
Standard SMILES	CC1(C)OCC(CN(Cc2c[nH]c3ccc(F)cc23)C(=O)CC2CCCCC2)O1
Canonical SMILES	CC1(OCC(O1)CN(CC2=CNC3=C2C=C(C=C3)F)C(=O)CC4CCCCC4)C
Isomeric SMILES	CC1(OC[C@@H](O1)CN(CC2=CNC3=C2C=C(C=C3)F)C(=O)CC4CCCCC4)C
Standard InChI Identifier	InChI=1S/C23H31FN2O3/c1-23(2)28-15-19(29-23)14-26(22(27)10-16-6-4-3-5-7-16)13-17-12-25-21-9-8-18(24)11-20(17)21/h8-9,11-12,16,19,25H,3-7,10,13-15H2,1-2H3/t19-/m0/s1
Standard InChI Key	PLNBYBWNUYEELV-IBGZPJMESA-N
Compound Complexity	566.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：1 Rotatable Bond Count：6 Heavy Atom Count：29 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：402.23187102