2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

C13H28N2O3 — CID 60696638

IUPAC2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCCN(CCO)CC(=O)NCCCOC(C)C
InChIInChI=1S/C13H28N2O3/c1-4-7-15(8-9-16)11-13(17)14-6-5-10-18-12(2)3/h12,16H,4-11H2,1-3H3,(H,14,17)
InChIKeyOGUUSRHUZHVATK-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.62
Rot. Bonds11

About 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide

2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 60696638) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID60696638
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCCCN(CCO)CC(=O)NCCCOC(C)C
InChIInChI=1S/C13H28N2O3/c1-4-7-15(8-9-16)11-13(17)14-6-5-10-18-12(2)3/h12,16H,4-11H2,1-3H3,(H,14,17)
InChIKeyOGUUSRHUZHVATK-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)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

2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
N-butyl-2-(dipropylamino)acetamide
CID 54817378
2-[bis(2-hydroxyethyl)amino]-N-propylacetamide
CID 60686308
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
2-[2-hydroxyethyl(propyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691833
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
CID 43442393
2-[2-hydroxypropyl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 55061227
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
3-[[2-(butylamino)-2-oxoethyl]-(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82327238
N-heptyl-N'-(3-propan-2-yloxypropyl)butanediamide
CID 4554473
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide (CID 60696638) is 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is CCCN(CCO)CC(=O)NCCCOC(C)C.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is OGUUSRHUZHVATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-4-7-15(8-9-16)11-13(17)14-6-5-10-18-12(2)3/h12,16H,4-11H2,1-3H3,(H,14,17).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide?
2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 0.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 60696638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).