3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide

C10H22N2O2 — CID 65111221

IUPAC3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
SMILESCCC(O)(CC)CNCCC(=O)NC
InChIInChI=1S/C10H22N2O2/c1-4-10(14,5-2)8-12-7-6-9(13)11-3/h12,14H,4-8H2,1-3H3,(H,11,13)
InChIKeyBRRNJQMWVFLUMW-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.26
Rot. Bonds7

About 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide

3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide (PubChem CID 65111221) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
PubChem CID65111221
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
SMILESCCC(O)(CC)CNCCC(=O)NC
InChIInChI=1S/C10H22N2O2/c1-4-10(14,5-2)8-12-7-6-9(13)11-3/h12,14H,4-8H2,1-3H3,(H,11,13)
InChIKeyBRRNJQMWVFLUMW-UHFFFAOYSA-N
XLogP0.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide 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

3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
4-(propylaminomethyl)heptan-4-ol
CID 62774310
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
2-chloro-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65105640
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide (CID 65111221) is 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide is CCC(O)(CC)CNCCC(=O)NC.
What is the InChIKey of 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide?
The InChIKey is BRRNJQMWVFLUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-10(14,5-2)8-12-7-6-9(13)11-3/h12,14H,4-8H2,1-3H3,(H,11,13).
What are the key properties of 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide?
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide is sourced from PubChem (CID 65111221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).