4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide

C20H21N3O2 — CID 101492596

IUPAC4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O2/c1-2-12-22-20(25)18(13-15-6-4-3-5-7-15)23-19(24)17-10-8-16(14-21)9-11-17/h3-11,18H,2,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyWEHQAWBWSVHZAG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.43
Rot. Bonds7

About 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide

4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide (PubChem CID 101492596) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide
PubChem CID101492596
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H21N3O2/c1-2-12-22-20(25)18(13-15-6-4-3-5-7-15)23-19(24)17-10-8-16(14-21)9-11-17/h3-11,18H,2,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyWEHQAWBWSVHZAG-UHFFFAOYSA-N
XLogP2.43
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)-2-phenylethyl]benzamide
CID 164679164
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
N-[1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]benzamide
CID 3880826
N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-phenylpropanamide
CID 87927842
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[[4-(propylamino)benzoyl]amino]propanoyl]amino]propanoic acid
CID 174522397
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]-3,4-dimethylbenzamide
CID 144765851
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
N-[(2S)-1-[2-[[(2S)-4-methyl-2-[(4-prop-1-en-2-ylbenzoyl)amino]pentanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-prop-1-en-2-ylbenzamide
CID 59991160
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide (CID 101492596) is 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is WEHQAWBWSVHZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-12-22-20(25)18(13-15-6-4-3-5-7-15)23-19(24)17-10-8-16(14-21)9-11-17/h3-11,18H,2,12-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide?
4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 101492596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).