N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide

C15H19NO — CID 42916560

IUPACN-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C15H19NO/c1-12-7-5-6-10-14(12)11-16-15(17)13-8-3-2-4-9-13/h2-3,5-7,10,13H,4,8-9,11H2,1H3,(H,16,17)
InChIKeyKCMVJPQXWTWPGW-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.97
Rot. Bonds3

About N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide

N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 42916560) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID42916560
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1CC=CCC1
InChIInChI=1S/C15H19NO/c1-12-7-5-6-10-14(12)11-16-15(17)13-8-3-2-4-9-13/h2-3,5-7,10,13H,4,8-9,11H2,1H3,(H,16,17)
InChIKeyKCMVJPQXWTWPGW-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.97
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

(1R)-N-[(2-chlorophenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 9401002
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
(1S)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 31644447
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42943354
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566791
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide (CID 42916560) is N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide is Cc1ccccc1CNC(=O)C1CC=CCC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KCMVJPQXWTWPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-7-5-6-10-14(12)11-16-15(17)13-8-3-2-4-9-13/h2-3,5-7,10,13H,4,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42916560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).