2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide

C16H24N2O2 — CID 65051099

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COC2(CN)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-7-14(10-13)18-15(19)11-20-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12,17H2,1H3,(H,18,19)
InChIKeyOAFCAIZUZAPBAB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide (PubChem CID 65051099) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
PubChem CID65051099
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COC2(CN)CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-13-6-5-7-14(10-13)18-15(19)11-20-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12,17H2,1H3,(H,18,19)
InChIKeyOAFCAIZUZAPBAB-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide 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)methoxy]-N-(3-methylphenyl)acetamide
CID 64573088
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-(3-methylanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4828855
2-(1-amino-2-methylpropan-2-yl)oxy-N-(3-methylphenyl)acetamide
CID 65053563
[2-(3-methylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822023
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(3-methylphenyl)acetamide
CID 62518654
N-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604930
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
[2-(3-methylanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7833182

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide (CID 65051099) is 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COC2(CN)CCCCC2)c1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide?
The InChIKey is OAFCAIZUZAPBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-5-7-14(10-13)18-15(19)11-20-16(12-17)8-3-2-4-9-16/h5-7,10H,2-4,8-9,11-12,17H2,1H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 65051099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).