3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide

C18H22N2O2 — CID 94007148

IUPAC3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H22N2O2/c1-12-7-8-14(18(22)19-15-9-10-15)11-16(12)20-17(21)13-5-3-2-4-6-13/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyHNXZKKMFCCNHJN-ZDUSSCGKSA-N
MW298.39 g/mol
LogP3.18
Rot. Bonds4

About 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 94007148) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID94007148
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C18H22N2O2/c1-12-7-8-14(18(22)19-15-9-10-15)11-16(12)20-17(21)13-5-3-2-4-6-13/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyHNXZKKMFCCNHJN-ZDUSSCGKSA-N
XLogP3.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987
3-(cyclohex-3-ene-1-carbonylamino)-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 172656164
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
cis-(1R,2S)-2-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
CID 138003102
(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95280169
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 94007148) is 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is HNXZKKMFCCNHJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-8-14(18(22)19-15-9-10-15)11-16(12)20-17(21)13-5-3-2-4-6-13/h2-3,7-8,11,13,15H,4-6,9-10H2,1H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 94007148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).