(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide

C19H18N2O2 — CID 94812739

IUPAC(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide
SMILESN#C[C@H](C(=O)CCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O2/c20-13-17(18(22)12-11-15-7-3-1-4-8-15)19(23)21-14-16-9-5-2-6-10-16/h1-10,17H,11-12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyBAHIKSYOERSVDJ-QGZVFWFLSA-N
MW306.37 g/mol
LogP2.64
Rot. Bonds7

About (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide

(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide (PubChem CID 94812739) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide
PubChem CID94812739
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide
SMILESN#C[C@H](C(=O)CCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H18N2O2/c20-13-17(18(22)12-11-15-7-3-1-4-8-15)19(23)21-14-16-9-5-2-6-10-16/h1-10,17H,11-12,14H2,(H,21,23)/t17-/m1/s1
InChIKeyBAHIKSYOERSVDJ-QGZVFWFLSA-N
XLogP2.64
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-cyano-3-oxobutanamide
CID 47275479
(2R)-N-(2-chlorophenyl)-2-cyano-3-oxo-5-phenylpentanamide
CID 98450225
N-benzyl-2-cyano-3-(propan-2-ylamino)-3-sulfanylidenepropanamide
CID 24808388
(2R)-3-oxo-5-phenyl-2-(pyrrolidine-1-carbonyl)pentanenitrile
CID 98449673
(2S)-N-benzyl-2-cyano-3-(4-ethylphenyl)-3-oxopropanamide
CID 96570961
N-benzyl-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxopropanamide
CID 51086366
N-benzyl-2-cyanopent-4-enamide
CID 70405767
(2S)-N-benzyl-2-cyano-3-(3,4-dimethoxyphenyl)-3-oxopropanamide
CID 98449932
N-(2-cyanopropyl)-3-phenylpropanamide
CID 62651466
[2-(benzylamino)-2-oxo-1-phenylethyl] thiocyanate
CID 135051211
N-benzyl-2-methylpropanamide;methane
CID 160760567
2-(2-bromophenyl)-3-oxo-5-phenylpentanenitrile
CID 62830847

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide?
The IUPAC name of (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide (CID 94812739) is (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide.
What is the SMILES notation for (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide?
The canonical SMILES for (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide is N#C[C@H](C(=O)CCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide?
The InChIKey is BAHIKSYOERSVDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-13-17(18(22)12-11-15-7-3-1-4-8-15)19(23)21-14-16-9-5-2-6-10-16/h1-10,17H,11-12,14H2,(H,21,23)/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide?
(2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide has a molecular weight of 306.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-cyano-3-oxo-5-phenylpentanamide is sourced from PubChem (CID 94812739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).