N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide

C21H26N2O2 — CID 60551468

IUPACN-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-14-22-20(24)13-15-23-21(25)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyYDQBKUYABQYPFL-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.24
Rot. Bonds9

About N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide

N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide (PubChem CID 60551468) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
PubChem CID60551468
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
SMILESCCCNC(=O)CCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-14-22-20(24)13-15-23-21(25)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyYDQBKUYABQYPFL-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(2R)-2-amino-N-[3-oxo-3-(propylamino)propyl]-3-phenylpropanamide
CID 78985493
3-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 111342445
3-[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 109408150
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
N-methyl-3,3-diphenylpropanamide
CID 3373592

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide (CID 60551468) is N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide is CCCNC(=O)CCNC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide?
The InChIKey is YDQBKUYABQYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-14-22-20(24)13-15-23-21(25)16-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide?
N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 60551468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).