N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide

C22H28N2O2 — CID 42907468

IUPACN-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)C2CC=CCC2)c(C)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C22H28N2O2/c1-15-13-20(24-22(26)18-11-7-4-8-12-18)16(2)14-19(15)23-21(25)17-9-5-3-6-10-17/h3-5,7,13-14,17-18H,6,8-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVNYHHGXYLKYJB-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.89
Rot. Bonds4

About N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide

N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42907468) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
PubChem CID42907468
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)C2CC=CCC2)c(C)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C22H28N2O2/c1-15-13-20(24-22(26)18-11-7-4-8-12-18)16(2)14-19(15)23-21(25)17-9-5-3-6-10-17/h3-5,7,13-14,17-18H,6,8-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRVNYHHGXYLKYJB-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 51469355
N-(2-chloro-4,5-dimethoxyphenyl)cyclohex-3-ene-1-carboxamide
CID 16602989
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 71860164

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide (CID 42907468) is N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide is Cc1cc(NC(=O)C2CC=CCC2)c(C)cc1NC(=O)C1CC=CCC1.
What is the InChIKey of N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is RVNYHHGXYLKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-13-20(24-22(26)18-11-7-4-8-12-18)16(2)14-19(15)23-21(25)17-9-5-3-6-10-17/h3-5,7,13-14,17-18H,6,8-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide?
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42907468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).