N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide

C16H24N2O2 — CID 104847616

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
SMILESCOc1cc(CN)ccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19)
InChIKeyBPIJGGVKYBZQES-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.06
Rot. Bonds5

About N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide

N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide (PubChem CID 104847616) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
PubChem CID104847616
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
SMILESCOc1cc(CN)ccc1NC(=O)CC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19)
InChIKeyBPIJGGVKYBZQES-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide 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-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
4-[(2-cyclopentylacetyl)amino]-3-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 11222117
N-(2-amino-4-bromophenyl)-2-cyclohexylacetamide
CID 43130499
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide (CID 104847616) is N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide is COc1cc(CN)ccc1NC(=O)CC1CCCCC1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide?
The InChIKey is BPIJGGVKYBZQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-9-13(11-17)7-8-14(15)18-16(19)10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide?
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide has a molecular weight of 276.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide is sourced from PubChem (CID 104847616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).