(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide

C19H23N3O2 — CID 95319074

IUPAC(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
SMILESCC[C@@H](CC(=O)NCc1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-15(16-8-4-3-5-9-16)12-18(23)21-13-14-7-6-10-17(11-14)22-19(20)24/h3-11,15H,2,12-13H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m0/s1
InChIKeyZBZNWXQSNSOSMY-HNNXBMFYSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds7

About (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide

(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide (PubChem CID 95319074) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide.

Molecular Properties

Compound Name(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
PubChem CID95319074
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
SMILESCC[C@@H](CC(=O)NCc1cccc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C19H23N3O2/c1-2-15(16-8-4-3-5-9-16)12-18(23)21-13-14-7-6-10-17(11-14)22-19(20)24/h3-11,15H,2,12-13H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m0/s1
InChIKeyZBZNWXQSNSOSMY-HNNXBMFYSA-N
XLogP3.38
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide
CID 95319075
(2S)-N-[[3-(carbamoylamino)phenyl]methyl]-2-phenylsulfanylbutanamide
CID 95979709
methyl N-[[3-(carbamoylamino)phenyl]methyl]carbamate
CID 150640545
N-[(1-oxidopyridin-1-ium-3-yl)methyl]-3-phenylpentanamide
CID 138013947
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
2-phenylbutylurea
CID 137320233
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
CID 60589103
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
(3S)-5-[3-(methoxymethyl)anilino]-5-oxo-3-phenylpentanoic acid
CID 100816000

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide?
The IUPAC name of (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide (CID 95319074) is (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide.
What is the SMILES notation for (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide?
The canonical SMILES for (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide is CC[C@@H](CC(=O)NCc1cccc(NC(N)=O)c1)c1ccccc1.
What is the InChIKey of (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide?
The InChIKey is ZBZNWXQSNSOSMY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-15(16-8-4-3-5-9-16)12-18(23)21-13-14-7-6-10-17(11-14)22-19(20)24/h3-11,15H,2,12-13H2,1H3,(H,21,23)(H3,20,22,24)/t15-/m0/s1.
What are the key properties of (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide?
(3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(carbamoylamino)phenyl]methyl]-3-phenylpentanamide is sourced from PubChem (CID 95319074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).