[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate

C24H28N2O5 — CID 46696756

IUPAC[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCC(NC(=O)c1ccccc1NC(=O)COC(=O)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-17(18-10-4-2-5-11-18)25-22(28)19-12-6-7-13-20(19)26-21(27)16-31-23(29)24(30)14-8-3-9-15-24/h2,4-7,10-13,17,30H,3,8-9,14-16H2,1H3,(H,25,28)(H,26,27)
InChIKeySDVUEEBGGUZPAP-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.35
Rot. Bonds7

About [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate

[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate (PubChem CID 46696756) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate
PubChem CID46696756
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate
SMILESCC(NC(=O)c1ccccc1NC(=O)COC(=O)C1(O)CCCCC1)c1ccccc1
InChIInChI=1S/C24H28N2O5/c1-17(18-10-4-2-5-11-18)25-22(28)19-12-6-7-13-20(19)26-21(27)16-31-23(29)24(30)14-8-3-9-15-24/h2,4-7,10-13,17,30H,3,8-9,14-16H2,1H3,(H,25,28)(H,26,27)
InChIKeySDVUEEBGGUZPAP-UHFFFAOYSA-N
XLogP3.35
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 40833872
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] cyclopropanecarboxylate
CID 7863523
cis-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020412
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] thiophene-2-carboxylate
CID 42900841
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7395568
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932422
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932420
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792122

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate (CID 46696756) is [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate is CC(NC(=O)c1ccccc1NC(=O)COC(=O)C1(O)CCCCC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate?
The InChIKey is SDVUEEBGGUZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17(18-10-4-2-5-11-18)25-22(28)19-12-6-7-13-20(19)26-21(27)16-31-23(29)24(30)14-8-3-9-15-24/h2,4-7,10-13,17,30H,3,8-9,14-16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate?
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate has a molecular weight of 424.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 46696756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).