2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide

C13H26N2O2 — CID 62031688

IUPAC2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3
InChIKeyKIXHWRIQUPUCTG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide

2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide (PubChem CID 62031688) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
PubChem CID62031688
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3
InChIKeyKIXHWRIQUPUCTG-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide (CID 62031688) is 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C.
What is the InChIKey of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is KIXHWRIQUPUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3.
What are the key properties of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62031688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).