[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate

C24H26N2O4 — CID 102206063

IUPAC[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate
SMILESCCN1C(=O)C(OC(=O)c2ccccc2)(C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c1-2-26-20-16-10-9-15-19(20)24(23(26)29,22(28)25-18-13-7-4-8-14-18)30-21(27)17-11-5-3-6-12-17/h3,5-6,9-12,15-16,18H,2,4,7-8,13-14H2,1H3,(H,25,28)
InChIKeyPOBYVDWFSCSREM-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.55
Rot. Bonds5

About [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate

[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate (PubChem CID 102206063) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate.

Molecular Properties

Compound Name[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate
PubChem CID102206063
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate
SMILESCCN1C(=O)C(OC(=O)c2ccccc2)(C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c1-2-26-20-16-10-9-15-19(20)24(23(26)29,22(28)25-18-13-7-4-8-14-18)30-21(27)17-11-5-3-6-12-17/h3,5-6,9-12,15-16,18H,2,4,7-8,13-14H2,1H3,(H,25,28)
InChIKeyPOBYVDWFSCSREM-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-3-(cyclohexylcarbamoyl)-1-methyl-2-oxoindol-3-yl] benzoate
CID 102206061
N-cyclopentyl-N'-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]oxamide
CID 41024763
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
(2S)-N-cycloheptyl-4-ethyl-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 97416476
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 110203901
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 11912038
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 162804419
(2R,3R)-2,3-dibenzoyloxy-4-(cyclohexylamino)-4-oxobutanoic acid
CID 26476592
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
N-cyclohexyl-2-(1,3,3-trimethylindol-2-ylidene)acetamide
CID 4656730

Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate?
The IUPAC name of [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate (CID 102206063) is [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate.
What is the SMILES notation for [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate?
The canonical SMILES for [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate is CCN1C(=O)C(OC(=O)c2ccccc2)(C(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate?
The InChIKey is POBYVDWFSCSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-2-26-20-16-10-9-15-19(20)24(23(26)29,22(28)25-18-13-7-4-8-14-18)30-21(27)17-11-5-3-6-12-17/h3,5-6,9-12,15-16,18H,2,4,7-8,13-14H2,1H3,(H,25,28).
What are the key properties of [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate?
[3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate has a molecular weight of 406.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylcarbamoyl)-1-ethyl-2-oxoindol-3-yl] benzoate is sourced from PubChem (CID 102206063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).