[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate

C19H22N2O4 — CID 46668098

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
SMILESO=C(COC(=O)C1CC=CCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H22N2O4/c22-17(12-25-19(24)13-5-2-1-3-6-13)20-16-8-4-7-14(11-16)18(23)21-15-9-10-15/h1-2,4,7-8,11,13,15H,3,5-6,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyGYRXYJIRNCTGIY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.42
Rot. Bonds6

About [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate (PubChem CID 46668098) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
PubChem CID46668098
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
SMILESO=C(COC(=O)C1CC=CCC1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C19H22N2O4/c22-17(12-25-19(24)13-5-2-1-3-6-13)20-16-8-4-7-14(11-16)18(23)21-15-9-10-15/h1-2,4,7-8,11,13,15H,3,5-6,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyGYRXYJIRNCTGIY-UHFFFAOYSA-N
XLogP2.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
CID 18280184
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932576
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-(3,4-difluoroanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932619
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932098
[2-(4-bromo-3-methylanilino)-2-oxoethyl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932624
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate (CID 46668098) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate is O=C(COC(=O)C1CC=CCC1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate?
The InChIKey is GYRXYJIRNCTGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-17(12-25-19(24)13-5-2-1-3-6-13)20-16-8-4-7-14(11-16)18(23)21-15-9-10-15/h1-2,4,7-8,11,13,15H,3,5-6,9-10,12H2,(H,20,22)(H,21,23).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 46668098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).