N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

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

	Common Name	N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide	English Name	N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
	CAS NO.	N/A	Molecular Weight	348.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₈H₂₈N₄O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

Molecular Formula	C18H28N4O3
Molecular Weight	348.4
Exact Mass	348.21614077
LogP	0.80
Standard SMILES	CCCN(CCC(=O)N1CC(C)OC(C)C1)C(=O)c1cnc(C)cn1
Canonical SMILES	CCCN(CCC(=O)N1CC(OC(C1)C)C)C(=O)C2=NC=C(N=C2)C
Isomeric SMILES	CCCN(CCC(=O)N1C[C@H](O[C@H](C1)C)C)C(=O)C2=NC=C(N=C2)C
Standard InChI Identifier	InChI=1S/C18H28N4O3/c1-5-7-21(18(24)16-10-19-13(2)9-20-16)8-6-17(23)22-11-14(3)25-15(4)12-22/h9-10,14-15H,5-8,11-12H2,1-4H3/t14-,15+
Standard InChI Key	FFOGCLGUCMLRJL-GASCZTMLSA-N
Compound Complexity	450.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：25 Total Chiral Atom Count：2 Defined Chiral Atom Count：2 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：348.21614077