[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C23H21NO5 — CID 7030612

IUPAC[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21NO5/c1-16-9-11-18(12-10-16)20(25)15-29-23(27)19(14-17-6-3-2-4-7-17)24-22(26)21-8-5-13-28-21/h2-13,19H,14-15H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyCFJNTCZDXZRHDA-IBGZPJMESA-N
MW391.42 g/mol
LogP3.36
Rot. Bonds8

About [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 7030612) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID7030612
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C23H21NO5/c1-16-9-11-18(12-10-16)20(25)15-29-23(27)19(14-17-6-3-2-4-7-17)24-22(26)21-8-5-13-28-21/h2-13,19H,14-15H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyCFJNTCZDXZRHDA-IBGZPJMESA-N
XLogP3.36
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925984
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2449059
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
[(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
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 7030612) is [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is Cc1ccc(C(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is CFJNTCZDXZRHDA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21NO5/c1-16-9-11-18(12-10-16)20(25)15-29-23(27)19(14-17-6-3-2-4-7-17)24-22(26)21-8-5-13-28-21/h2-13,19H,14-15H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 391.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 7030612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).