2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate

C20H15N2O5- — CID 7085502

IUPAC2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
SMILESO=C(N[C@@H](Nc1ccccc1C(=O)[O-])C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16N2O5/c23-17(13-7-2-1-3-8-13)18(22-19(24)16-11-6-12-27-16)21-15-10-5-4-9-14(15)20(25)26/h1-12,18,21H,(H,22,24)(H,25,26)/p-1/t18-/m1/s1
InChIKeyLGPOPDDSNTWOAE-GOSISDBHSA-M
MW363.35 g/mol
LogP1.69
Rot. Bonds7

About 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate

2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate (PubChem CID 7085502) has the molecular formula C20H15N2O5- and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate.

Molecular Properties

Compound Name2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
PubChem CID7085502
Molecular FormulaC20H15N2O5-
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
SMILESO=C(N[C@@H](Nc1ccccc1C(=O)[O-])C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16N2O5/c23-17(13-7-2-1-3-8-13)18(22-19(24)16-11-6-12-27-16)21-15-10-5-4-9-14(15)20(25)26/h1-12,18,21H,(H,22,24)(H,25,26)/p-1/t18-/m1/s1
InChIKeyLGPOPDDSNTWOAE-GOSISDBHSA-M
XLogP1.69
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984730
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
N-[1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 3106356
methyl 2-[[1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3852585
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
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
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
N-[(1S)-1-(azepan-1-yl)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 6541130
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate?
The IUPAC name of 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate (CID 7085502) is 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate.
What is the SMILES notation for 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate?
The canonical SMILES for 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate is O=C(N[C@@H](Nc1ccccc1C(=O)[O-])C(=O)c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate?
The InChIKey is LGPOPDDSNTWOAE-GOSISDBHSA-M. The full InChI is InChI=1S/C20H16N2O5/c23-17(13-7-2-1-3-8-13)18(22-19(24)16-11-6-12-27-16)21-15-10-5-4-9-14(15)20(25)26/h1-12,18,21H,(H,22,24)(H,25,26)/p-1/t18-/m1/s1.
What are the key properties of 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate?
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate has a molecular weight of 363.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate is sourced from PubChem (CID 7085502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).