N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

C20H18N2O3 — CID 7116359

IUPACN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESCc1cccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyVCOWAJLSHKNELA-IBGZPJMESA-N
MW334.38 g/mol
LogP3.64
Rot. Bonds6

About N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (PubChem CID 7116359) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
PubChem CID7116359
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESCc1cccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyVCOWAJLSHKNELA-IBGZPJMESA-N
XLogP3.64
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.64
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-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892418
N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120897
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348306
N-[(1S)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348307
N-[(1R)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120894
N-[(1S)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120893
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
CID 7085502
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3852585

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (CID 7116359) is N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is Cc1cccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The InChIKey is VCOWAJLSHKNELA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-7-5-10-16(13-14)21-19(18(23)15-8-3-2-4-9-15)22-20(24)17-11-6-12-25-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 7116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).