(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide

C16H21NO — CID 51474501

IUPAC(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CC=CCC2)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-9-12(2)15(13(3)10-11)17-16(18)14-7-5-4-6-8-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyYWMFVRMXJOHQFP-AWEZNQCLSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds2

About (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 51474501) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID51474501
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(C)c(NC(=O)[C@H]2CC=CCC2)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-9-12(2)15(13(3)10-11)17-16(18)14-7-5-4-6-8-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyYWMFVRMXJOHQFP-AWEZNQCLSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.91
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)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
(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-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
N-(2,6-dimethyl-4-nitrophenyl)cyclopent-3-ene-1-carboxamide
CID 71857580
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
1,1-dioxo-N-(2,4,6-trimethylphenyl)thiane-3-carboxamide
CID 110858216
3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide (CID 51474501) is (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide is Cc1cc(C)c(NC(=O)[C@H]2CC=CCC2)c(C)c1.
What is the InChIKey of (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YWMFVRMXJOHQFP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-9-12(2)15(13(3)10-11)17-16(18)14-7-5-4-6-8-14/h4-5,9-10,14H,6-8H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,4,6-trimethylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51474501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).