3-[[(2R)-2-phenylpentanoyl]amino]benzamide

C18H20N2O2 — CID 41260026

IUPAC3-[[(2R)-2-phenylpentanoyl]amino]benzamide
SMILESCCC[C@@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-7-16(13-8-4-3-5-9-13)18(22)20-15-11-6-10-14(12-15)17(19)21/h3-6,8-12,16H,2,7H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1
InChIKeyVJQVTOOLWLIQLR-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.31
Rot. Bonds6

About 3-[[(2R)-2-phenylpentanoyl]amino]benzamide

3-[[(2R)-2-phenylpentanoyl]amino]benzamide (PubChem CID 41260026) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[[(2R)-2-phenylpentanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-phenylpentanoyl]amino]benzamide
PubChem CID41260026
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[[(2R)-2-phenylpentanoyl]amino]benzamide
SMILESCCC[C@@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-2-7-16(13-8-4-3-5-9-13)18(22)20-15-11-6-10-14(12-15)17(19)21/h3-6,8-12,16H,2,7H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1
InChIKeyVJQVTOOLWLIQLR-MRXNPFEDSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2R)-N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9108359
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
3-(2-aminopropanoylamino)benzamide
CID 61258270
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-phenylpentanoyl]amino]benzamide?
The IUPAC name of 3-[[(2R)-2-phenylpentanoyl]amino]benzamide (CID 41260026) is 3-[[(2R)-2-phenylpentanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(2R)-2-phenylpentanoyl]amino]benzamide?
The canonical SMILES for 3-[[(2R)-2-phenylpentanoyl]amino]benzamide is CCC[C@@H](C(=O)Nc1cccc(C(N)=O)c1)c1ccccc1.
What is the InChIKey of 3-[[(2R)-2-phenylpentanoyl]amino]benzamide?
The InChIKey is VJQVTOOLWLIQLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-7-16(13-8-4-3-5-9-13)18(22)20-15-11-6-10-14(12-15)17(19)21/h3-6,8-12,16H,2,7H2,1H3,(H2,19,21)(H,20,22)/t16-/m1/s1.
What are the key properties of 3-[[(2R)-2-phenylpentanoyl]amino]benzamide?
3-[[(2R)-2-phenylpentanoyl]amino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-phenylpentanoyl]amino]benzamide is sourced from PubChem (CID 41260026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).