3-(2-methylpropoxy)butanamide

C8H17NO2 — CID 137379799

IUPAC3-(2-methylpropoxy)butanamide
SMILESCC(C)COC(C)CC(N)=O
InChIInChI=1S/C8H17NO2/c1-6(2)5-11-7(3)4-8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyWFAHZUMZSXPPNW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds5

About 3-(2-methylpropoxy)butanamide

3-(2-methylpropoxy)butanamide (PubChem CID 137379799) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)butanamide
PubChem CID137379799
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-methylpropoxy)butanamide
SMILESCC(C)COC(C)CC(N)=O
InChIInChI=1S/C8H17NO2/c1-6(2)5-11-7(3)4-8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyWFAHZUMZSXPPNW-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropoxy)butanamide 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-methylpropoxy)butanethioamide
CID 114995291
3-methylbutanamide
CID 87933309
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
1-(2-methylpropoxy)ethyl carbamate
CID 21498365
4-(4,4-dimethylpentan-2-yloxy)-3-hydroxybutanamide
CID 138701587
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
2-(2-hydroxypropoxy)propyl hydrogen carbonate
CID 87304467
4-hydroxy-3-methylpentanamide
CID 21402958
diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441
2-butan-2-ylbutanediamide
CID 87535883
5-methyl-3-(2-methylpropyl)hexanamide
CID 87709322
bis[2-(2-methoxypropoxy)propyl] carbonate
CID 139751195

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)butanamide?
The IUPAC name of 3-(2-methylpropoxy)butanamide (CID 137379799) is 3-(2-methylpropoxy)butanamide.
What is the SMILES notation for 3-(2-methylpropoxy)butanamide?
The canonical SMILES for 3-(2-methylpropoxy)butanamide is CC(C)COC(C)CC(N)=O.
What is the InChIKey of 3-(2-methylpropoxy)butanamide?
The InChIKey is WFAHZUMZSXPPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-11-7(3)4-8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3-(2-methylpropoxy)butanamide?
3-(2-methylpropoxy)butanamide has a molecular weight of 159.23 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)butanamide is sourced from PubChem (CID 137379799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).