(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide

C15H19NO — CID 8743787

IUPAC(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyAOMBILCSKNWSGE-ZDUSSCGKSA-N
MW229.32 g/mol
LogP3.60
Rot. Bonds2

About (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 8743787) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID8743787
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C
InChIInChI=1S/C15H19NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyAOMBILCSKNWSGE-ZDUSSCGKSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]cyclohex-3-ene-1-carboxamide
CID 24525499
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 65430122
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 51474501
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide (CID 8743787) is (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1C.
What is the InChIKey of (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is AOMBILCSKNWSGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-8-9-14(10-12(11)2)16-15(17)13-6-4-3-5-7-13/h3-4,8-10,13H,5-7H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 8743787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).