2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide

C15H30N2O2 — CID 106592757

IUPAC2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
SMILESCCCCN(CCO)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O2/c1-3-4-8-17(9-10-18)15(19)12(2)13-6-5-7-14(16)11-13/h12-14,18H,3-11,16H2,1-2H3
InChIKeyLFDLIANZOZMQJK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.76
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide

2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide (PubChem CID 106592757) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
PubChem CID106592757
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
SMILESCCCCN(CCO)C(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C15H30N2O2/c1-3-4-8-17(9-10-18)15(19)12(2)13-6-5-7-14(16)11-13/h12-14,18H,3-11,16H2,1-2H3
InChIKeyLFDLIANZOZMQJK-UHFFFAOYSA-N
XLogP1.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)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-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 106593074
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)acetamide
CID 55117109
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
(1S)-1-[(1R,3S)-3-aminocyclohexyl]-1-hydroxypropan-2-one
CID 167029104

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide (CID 106592757) is 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide is CCCCN(CCO)C(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is LFDLIANZOZMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-4-8-17(9-10-18)15(19)12(2)13-6-5-7-14(16)11-13/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide?
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 270.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 106592757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).