2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide

C13H28N2O3 — CID 107263156

IUPAC2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCCCOCC(O)CNC(C)C(=O)N(C)CC
InChIInChI=1S/C13H28N2O3/c1-5-7-8-18-10-12(16)9-14-11(3)13(17)15(4)6-2/h11-12,14,16H,5-10H2,1-4H3
InChIKeyZESRMDSUUCLQEW-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.62
Rot. Bonds10

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

2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 107263156) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID107263156
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCCCOCC(O)CNC(C)C(=O)N(C)CC
InChIInChI=1S/C13H28N2O3/c1-5-7-8-18-10-12(16)9-14-11(3)13(17)15(4)6-2/h11-12,14,16H,5-10H2,1-4H3
InChIKeyZESRMDSUUCLQEW-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-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

N-ethyl-2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-N-methylpropanamide
CID 106990635
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
(2R)-2-[(2-hydroxy-3-tetradecoxypropyl)amino]propanoic acid
CID 101333987
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 103913986
N-(3-butoxy-2-hydroxypropyl)acetamide
CID 45119319
1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
N-ethyl-2-(hexylamino)-N-methylpropanamide
CID 103107347

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide (CID 107263156) is 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide is CCCCOCC(O)CNC(C)C(=O)N(C)CC.
What is the InChIKey of 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is ZESRMDSUUCLQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-7-8-18-10-12(16)9-14-11(3)13(17)15(4)6-2/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 107263156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).