N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

C20H18N2O4 — CID 984908

IUPACN-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESCOc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-11-9-15(10-12-16)21-19(18(23)14-6-3-2-4-7-14)22-20(24)17-8-5-13-26-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRYENEDBVRSBHHW-IBGZPJMESA-N
MW350.37 g/mol
LogP3.34
Rot. Bonds7

About N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (PubChem CID 984908) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
PubChem CID984908
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESCOc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O4/c1-25-16-11-9-15(10-12-16)21-19(18(23)14-6-3-2-4-7-14)22-20(24)17-8-5-13-26-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1
InChIKeyRYENEDBVRSBHHW-IBGZPJMESA-N
XLogP3.34
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
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-[(1S)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 985155
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3852585
methyl N-[(1S)-1-anilino-2-oxo-2-phenylethyl]carbamate
CID 7085514

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (CID 984908) is N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is COc1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The InChIKey is RYENEDBVRSBHHW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-11-9-15(10-12-16)21-19(18(23)14-6-3-2-4-7-14)22-20(24)17-8-5-13-26-17/h2-13,19,21H,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 984908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).