[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate

C24H26N2O4 — CID 7932420

IUPAC[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C24H26N2O4/c1-17(18-10-4-2-5-11-18)25-23(28)20-14-8-9-15-21(20)26-22(27)16-30-24(29)19-12-6-3-7-13-19/h2-6,8-11,14-15,17,19H,7,12-13,16H2,1H3,(H,25,28)(H,26,27)/t17-,19-/m0/s1
InChIKeyVVJKYZFYXWYTQD-HKUYNNGSSA-N
MW406.48 g/mol
LogP4.02
Rot. Bonds7

About [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate

[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932420) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID7932420
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC=CCC1)c1ccccc1
InChIInChI=1S/C24H26N2O4/c1-17(18-10-4-2-5-11-18)25-23(28)20-14-8-9-15-21(20)26-22(27)16-30-24(29)19-12-6-3-7-13-19/h2-6,8-11,14-15,17,19H,7,12-13,16H2,1H3,(H,25,28)(H,26,27)/t17-,19-/m0/s1
InChIKeyVVJKYZFYXWYTQD-HKUYNNGSSA-N
XLogP4.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932422
[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-(2-benzoylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932093
ethyl 2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]benzoate
CID 7949043
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] 4-hydroxybenzoate
CID 7866708
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 1-hydroxycyclohexane-1-carboxylate
CID 46696756
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 40833872
[2-(2-benzylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932188
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2,6-dimethoxybenzoate
CID 42971973
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 2-(2-fluorophenoxy)acetate
CID 55316488

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate (CID 7932420) is [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate is C[C@H](NC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CC=CCC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is VVJKYZFYXWYTQD-HKUYNNGSSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-17(18-10-4-2-5-11-18)25-23(28)20-14-8-9-15-21(20)26-22(27)16-30-24(29)19-12-6-3-7-13-19/h2-6,8-11,14-15,17,19H,7,12-13,16H2,1H3,(H,25,28)(H,26,27)/t17-,19-/m0/s1.
What are the key properties of [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate?
[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 406.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).