(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide

C20H20N2O3 — CID 98450117

IUPAC(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide
SMILESCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-4-3-5-16(12-14)22-20(24)18(13-21)19(23)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10,12,18H,8,11H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyXNXAGZYRTAGDPK-GOSISDBHSA-N
MW336.39 g/mol
LogP3.28
Rot. Bonds7

About (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide

(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide (PubChem CID 98450117) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide.

Molecular Properties

Compound Name(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide
PubChem CID98450117
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide
SMILESCOc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O3/c1-14-4-3-5-16(12-14)22-20(24)18(13-21)19(23)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10,12,18H,8,11H2,1-2H3,(H,22,24)/t18-/m1/s1
InChIKeyXNXAGZYRTAGDPK-GOSISDBHSA-N
XLogP3.28
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-4-(3-methylphenoxy)-N-(3-methylphenyl)-3-oxobutanamide
CID 51086424
(2S)-2-cyano-5-methyl-N-(3-methylphenyl)-3-oxohexanamide
CID 98450088
2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
CID 144523280
(2S)-2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 98449975
2-cyano-N-(3-methoxyphenyl)-3-(4-methylphenyl)-3-oxopropanamide
CID 51086382
(2R)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)-3-oxopropanamide
CID 98450105
(2R)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 8760980
2-cyano-3-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 87011877
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
2-cyano-3-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 87012140
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
(Z,2R)-2-cyano-N-(4-methoxyphenyl)-3-oxo-7-phenylhept-6-enamide
CID 98529487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide?
The IUPAC name of (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide (CID 98450117) is (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide.
What is the SMILES notation for (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide?
The canonical SMILES for (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide is COc1ccc(CCC(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide?
The InChIKey is XNXAGZYRTAGDPK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-4-3-5-16(12-14)22-20(24)18(13-21)19(23)11-8-15-6-9-17(25-2)10-7-15/h3-7,9-10,12,18H,8,11H2,1-2H3,(H,22,24)/t18-/m1/s1.
What are the key properties of (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide?
(2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide has a molecular weight of 336.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-5-(4-methoxyphenyl)-N-(3-methylphenyl)-3-oxopentanamide is sourced from PubChem (CID 98450117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).