2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide

C17H26N2O2 — CID 104678092

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(14-7-6-8-15(11-14)21-2)16(20)12-17(13-18)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyZKQMNXVUYFHAQM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 104678092) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
PubChem CID104678092
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(N(C)C(=O)CC2(CN)CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(14-7-6-8-15(11-14)21-2)16(20)12-17(13-18)9-4-3-5-10-17/h6-8,11H,3-5,9-10,12-13,18H2,1-2H3
InChIKeyZKQMNXVUYFHAQM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-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

1-[1-(aminomethyl)cyclohexyl]-3-(3-methoxyphenyl)propan-2-one
CID 116614341
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
N-[1-(aminomethyl)cyclopropyl]-3-methoxy-N-methylaniline
CID 106661172
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183686
N-(3-methoxyphenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182981
2-[1-(aminomethyl)cyclohexyl]-N-[(3-bromophenyl)methyl]-N-methylacetamide
CID 104677898

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide (CID 104678092) is 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(N(C)C(=O)CC2(CN)CCCCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is ZKQMNXVUYFHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(14-7-6-8-15(11-14)21-2)16(20)12-17(13-18)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-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 104678092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).