N-[4-(5-aminopentoxy)phenyl]-2-diphenylphosphorylacetamide

Update Time: 2025-04-25 16:31:57

	Common Name	N-[4-(5-aminopentoxy)phenyl]-2-diphenylphosphorylacetamide	English Name	N-[4-(5-aminopentoxy)phenyl]-2-diphenylphosphorylacetamide
	CAS NO.	N/A	Molecular Weight	436.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₂₉N₂O₃P	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[4-(5-aminopentoxy)phenyl]-2-diphenylphosphorylacetamide

Molecular Formula	C25H29N2O3P
Molecular Weight	436.5
Exact Mass	436.19157979
LogP	4.10
Standard SMILES	NCCCCCOc1ccc(NC(=O)CP(=O)(c2ccccc2)c2ccccc2)cc1
Canonical SMILES	C1=CC=C(C=C1)P(=O)(CC(=O)NC2=CC=C(C=C2)OCCCCCN)C3=CC=CC=C3
Isomeric SMILES	C1=CC=C(C=C1)P(=O)(CC(=O)NC2=CC=C(C=C2)OCCCCCN)C3=CC=CC=C3
Standard InChI Identifier	InChI=1S/C25H29N2O3P/c26-18-8-3-9-19-30-22-16-14-21(15-17-22)27-25(28)20-31(29,23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-17H,3,8-9,18-20,26H2,(H,27,28)
Standard InChI Key	UWJWPVNZHYQDHK-UHFFFAOYSA-N
Compound Complexity	543.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：2 Rotatable Bond Count：11 Heavy Atom Count：31 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 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：436.19157979