N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C13H26N2O2 — CID 106123823

IUPACN-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-9-12(16)15-8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKGWWCMJLJVCNDJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 106123823) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID106123823
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-9-12(16)15-8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyKGWWCMJLJVCNDJ-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]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

N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-[(3-chlorocyclopentyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106126851
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605227
N-[(3-aminocyclohexyl)methyl]-2-cyclohexylacetamide
CID 106123088
N-[(3-aminocyclohexyl)methyl]-3-propoxypropanamide
CID 106123778
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603195
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 55314858
2-(3-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 62782744
2-[(2-methylpropan-2-yl)oxy]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 112605266
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 106123823) is N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)OCC(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is KGWWCMJLJVCNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-9-12(16)15-8-10-5-4-6-11(14)7-10/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 106123823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).