N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide

C18H23NO2 — CID 162417748

IUPACN-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide
SMILESC=CCC1=C(C(=O)NCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C18H23NO2/c1-3-6-15-7-4-5-8-17(15)18(20)19-13-14-9-11-16(21-2)12-10-14/h3,9-12H,1,4-8,13H2,2H3,(H,19,20)
InChIKeyNLTMZPOXICOKQS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.76
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide

N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide (PubChem CID 162417748) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide
PubChem CID162417748
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide
SMILESC=CCC1=C(C(=O)NCc2ccc(OC)cc2)CCCC1
InChIInChI=1S/C18H23NO2/c1-3-6-15-7-4-5-8-17(15)18(20)19-13-14-9-11-16(21-2)12-10-14/h3,9-12H,1,4-8,13H2,2H3,(H,19,20)
InChIKeyNLTMZPOXICOKQS-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxy-5-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]cyclohexene-1-carboxamide
CID 129303097
4-[[[2-[(3,5-dimethoxyphenyl)methyl]cyclopentene-1-carbonyl]amino]methyl]benzoic acid
CID 118562079
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 110693720
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide (CID 162417748) is N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide is C=CCC1=C(C(=O)NCc2ccc(OC)cc2)CCCC1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide?
The InChIKey is NLTMZPOXICOKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-6-15-7-4-5-8-17(15)18(20)19-13-14-9-11-16(21-2)12-10-14/h3,9-12H,1,4-8,13H2,2H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-prop-2-enylcyclohexene-1-carboxamide is sourced from PubChem (CID 162417748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).