[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate

C24H24N2O5 — CID 2601161

IUPAC[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C24H24N2O5/c1-17(13-14-18-8-3-2-4-9-18)25-22(27)16-31-24(29)19-10-5-6-11-20(19)26-23(28)21-12-7-15-30-21/h2-12,15,17H,13-14,16H2,1H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyCLMQNGFTLSIUGO-KRWDZBQOSA-N
MW420.47 g/mol
LogP3.83
Rot. Bonds9

About [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate

[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate (PubChem CID 2601161) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
PubChem CID2601161
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
SMILESC[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C24H24N2O5/c1-17(13-14-18-8-3-2-4-9-18)25-22(27)16-31-24(29)19-10-5-6-11-20(19)26-23(28)21-12-7-15-30-21/h2-12,15,17H,13-14,16H2,1H3,(H,25,27)(H,26,28)/t17-/m0/s1
InChIKeyCLMQNGFTLSIUGO-KRWDZBQOSA-N
XLogP3.83
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926734
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-(hydroxymethyl)benzoate
CID 18777344
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648239

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate (CID 2601161) is [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate is C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate?
The InChIKey is CLMQNGFTLSIUGO-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17(13-14-18-8-3-2-4-9-18)25-22(27)16-31-24(29)19-10-5-6-11-20(19)26-23(28)21-12-7-15-30-21/h2-12,15,17H,13-14,16H2,1H3,(H,25,27)(H,26,28)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate?
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate has a molecular weight of 420.47 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2601161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).