N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide

C17H25NO2 — CID 171793117

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-17(11-4-3-5-12-17)16(19)18-13-10-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyNYPUWMCFCFSFPQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide (PubChem CID 171793117) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
PubChem CID171793117
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(C)CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-17(11-4-3-5-12-17)16(19)18-13-10-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyNYPUWMCFCFSFPQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-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

1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
1-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 60897688
1-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylcyclopentyl)methyl]guanidine
CID 111110207
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977748
1-acetyl-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 167815427
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
N-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 111428672

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide (CID 171793117) is N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide is COc1ccc(CCNC(=O)C2(C)CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
The InChIKey is NYPUWMCFCFSFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(11-4-3-5-12-17)16(19)18-13-10-14-6-8-15(20-2)9-7-14/h6-9H,3-5,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 171793117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).