N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C21H20N2O3 — CID 2207439

IUPACN-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15-9-11-17(12-10-15)22-20(24)18(14-16-6-3-2-4-7-16)23-21(25)19-8-5-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyCAURASVQRNGDTO-SFHVURJKSA-N
MW348.40 g/mol
LogP3.57
Rot. Bonds6

About N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 2207439) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID2207439
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15-9-11-17(12-10-15)22-20(24)18(14-16-6-3-2-4-7-16)23-21(25)19-8-5-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1
InChIKeyCAURASVQRNGDTO-SFHVURJKSA-N
XLogP3.57
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578883
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578880
S-[4-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579841
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
N-[(2S)-1-oxo-3-phenyl-1-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]propan-2-yl]furan-2-carboxamide
CID 41323173
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 2207439) is N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is CAURASVQRNGDTO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-9-11-17(12-10-15)22-20(24)18(14-16-6-3-2-4-7-16)23-21(25)19-8-5-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2207439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).