N-(3-methylbutyl)-N-propylacetamide

C10H21NO — CID 88872672

IUPACN-(3-methylbutyl)-N-propylacetamide
SMILESCCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C10H21NO/c1-5-7-11(10(4)12)8-6-9(2)3/h9H,5-8H2,1-4H3
InChIKeyOKJSMTNTJKSWPO-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds5

About N-(3-methylbutyl)-N-propylacetamide

N-(3-methylbutyl)-N-propylacetamide (PubChem CID 88872672) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-propylacetamide
PubChem CID88872672
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methylbutyl)-N-propylacetamide
SMILESCCCN(CCC(C)C)C(C)=O
InChIInChI=1S/C10H21NO/c1-5-7-11(10(4)12)8-6-9(2)3/h9H,5-8H2,1-4H3
InChIKeyOKJSMTNTJKSWPO-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbutyl)-N-propylacetamide 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 N-(3-methylbutyl)-N-propylacetamide?
The IUPAC name of N-(3-methylbutyl)-N-propylacetamide (CID 88872672) is N-(3-methylbutyl)-N-propylacetamide.
What is the SMILES notation for N-(3-methylbutyl)-N-propylacetamide?
The canonical SMILES for N-(3-methylbutyl)-N-propylacetamide is CCCN(CCC(C)C)C(C)=O.
What is the InChIKey of N-(3-methylbutyl)-N-propylacetamide?
The InChIKey is OKJSMTNTJKSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-11(10(4)12)8-6-9(2)3/h9H,5-8H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-propylacetamide?
N-(3-methylbutyl)-N-propylacetamide has a molecular weight of 171.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-propylacetamide is sourced from PubChem (CID 88872672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).