3,3-diphenyl-N-propylpropanamide

C18H21NO — CID 4638647

IUPAC3,3-diphenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyWITOKBMRDAVRIU-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds6

About 3,3-diphenyl-N-propylpropanamide

3,3-diphenyl-N-propylpropanamide (PubChem CID 4638647) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3,3-diphenyl-N-propylpropanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-propylpropanamide
PubChem CID4638647
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3,3-diphenyl-N-propylpropanamide
SMILESCCCNC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20)
InChIKeyWITOKBMRDAVRIU-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-oxo-3-(propylamino)propyl]-3,3-diphenylpropanamide
CID 60551468
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3,3-diphenyl-N-prop-2-ynylpropanamide
CID 30600997
N-methyl-3,3-diphenylpropanamide
CID 3373592
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
N-[2-(diethylamino)propyl]-3,3-diphenylpropanamide
CID 112502151
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-propylpropanamide?
The IUPAC name of 3,3-diphenyl-N-propylpropanamide (CID 4638647) is 3,3-diphenyl-N-propylpropanamide.
What is the SMILES notation for 3,3-diphenyl-N-propylpropanamide?
The canonical SMILES for 3,3-diphenyl-N-propylpropanamide is CCCNC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-diphenyl-N-propylpropanamide?
The InChIKey is WITOKBMRDAVRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-13-19-18(20)14-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3,(H,19,20).
What are the key properties of 3,3-diphenyl-N-propylpropanamide?
3,3-diphenyl-N-propylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-propylpropanamide is sourced from PubChem (CID 4638647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).