N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

C22H22N2O3 — CID 1348306

IUPACN-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-3-16-8-12-18(13-9-16)23-21(24-22(26)19-5-4-14-27-19)20(25)17-10-6-15(2)7-11-17/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyFRKXHMONJFNUAW-OAQYLSRUSA-N
MW362.43 g/mol
LogP4.20
Rot. Bonds7

About N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide

N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (PubChem CID 1348306) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
PubChem CID1348306
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
SMILESCCc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-3-16-8-12-18(13-9-16)23-21(24-22(26)19-5-4-14-27-19)20(25)17-10-6-15(2)7-11-17/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyFRKXHMONJFNUAW-OAQYLSRUSA-N
XLogP4.20
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348307
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-[(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
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
N-[(1S)-1-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 7024999
N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide (CID 1348306) is N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is CCc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FRKXHMONJFNUAW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-16-8-12-18(13-9-16)23-21(24-22(26)19-5-4-14-27-19)20(25)17-10-6-15(2)7-11-17/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide?
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 1348306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).