2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide

C15H30N2O3 — CID 65050735

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(13(18)17-9-10-19-4)20-15(11-16)7-5-14(2,3)6-8-15/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyFZUALNMGORUCLB-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.45
Rot. Bonds7

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide (PubChem CID 65050735) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
PubChem CID65050735
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)OC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O3/c1-12(13(18)17-9-10-19-4)20-15(11-16)7-5-14(2,3)6-8-15/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyFZUALNMGORUCLB-UHFFFAOYSA-N
XLogP1.45
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide 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-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65052742
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052436
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
[1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylcyclohexyl]methanamine
CID 65052823
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876418
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide (CID 65050735) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)OC1(CN)CCC(C)(C)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
The InChIKey is FZUALNMGORUCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(13(18)17-9-10-19-4)20-15(11-16)7-5-14(2,3)6-8-15/h12H,5-11,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 65050735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).