2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C17H26N2O2 — CID 64684867

IUPAC2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(13-14-7-6-8-15(11-14)21-2)16(20)12-17(18)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyRYUQXNSMHMIKOB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 64684867) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID64684867
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)CC2(N)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(13-14-7-6-8-15(11-14)21-2)16(20)12-17(18)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyRYUQXNSMHMIKOB-UHFFFAOYSA-N
XLogP2.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide 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-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
2-(1-aminocyclobutyl)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 79843799
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-(1-aminocyclopentyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 64684189
2-(1-aminocyclopentyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 64683694
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
1-[[(3-methoxyphenyl)methyl-methylamino]methyl]cyclohexane-1-carboxylic acid
CID 62269993
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(1-aminocyclobutyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 103808810

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 64684867) is 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)CC2(N)CCCCC2)c1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is RYUQXNSMHMIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(13-14-7-6-8-15(11-14)21-2)16(20)12-17(18)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12-13,18H2,1-2H3.
What are the key properties of 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 64684867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).