N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide

C22H20N2O3 — CID 978963

IUPACN-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-19-14-12-17(13-15-19)22(26)24-21(23-18-10-6-3-7-11-18)20(25)16-8-4-2-5-9-16/h2-15,21,23H,1H3,(H,24,26)/t21-/m1/s1
InChIKeySMVXGTNQYWQRPU-OAQYLSRUSA-N
MW360.41 g/mol
LogP3.75
Rot. Bonds7

About N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide

N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide (PubChem CID 978963) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
PubChem CID978963
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-27-19-14-12-17(13-15-19)22(26)24-21(23-18-10-6-3-7-11-18)20(25)16-8-4-2-5-9-16/h2-15,21,23H,1H3,(H,24,26)/t21-/m1/s1
InChIKeySMVXGTNQYWQRPU-OAQYLSRUSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 985155
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
CID 7085514
4-bromo-N-[1-[(4-methoxyphenyl)carbamothioylamino]-2-oxo-2-phenylethyl]benzamide
CID 56697874
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
benzyl 2-[(4-methoxybenzoyl)amino]-3-oxo-3-phenylpropanoate
CID 44557729
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
4-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]benzoic acid
CID 175404529
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
N-[(1R)-2-oxo-2-phenyl-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 1271854

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide (CID 978963) is N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@@H](Nc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide?
The InChIKey is SMVXGTNQYWQRPU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-19-14-12-17(13-15-19)22(26)24-21(23-18-10-6-3-7-11-18)20(25)16-8-4-2-5-9-16/h2-15,21,23H,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide?
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide is sourced from PubChem (CID 978963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).