3-[(4-Anilinophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

Update Time: 2025-04-25 16:51:01

	Common Name	3-[(4-Anilinophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate	English Name	3-[(4-Anilinophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
	CAS NO.	N/A	Molecular Weight	365.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₂H₂₅N₂O₃-	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	3-[(4-Anilinophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate

Molecular Formula	C22H25N2O3-
Molecular Weight	365.4
Exact Mass	365.18651766
LogP	4.80
Standard SMILES	CC1(C(=O)[O-])CCC(C(=O)Nc2ccc(Nc3ccccc3)cc2)C1(C)C
Canonical SMILES	CC1(C(CCC1(C)C(=O)[O-])C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C
Isomeric SMILES	CC1(C(CCC1(C)C(=O)[O-])C(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)C
Standard InChI Identifier	InChI=1S/C22H26N2O3/c1-21(2)18(13-14-22(21,3)20(26)27)19(25)24-17-11-9-16(10-12-17)23-15-7-5-4-6-8-15/h4-12,18,23H,13-14H2,1-3H3,(H,24,25)(H,26,27)/p-1
Standard InChI Key	ULXQSQPKEUJAQQ-UHFFFAOYSA-M
Compound Complexity	542.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：2 Rotatable Bond Count：4 Heavy Atom Count：27 Total Chiral Atom Count：2 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：2 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：365.18651766