3-(2-methylpropylamino)butanamide

C8H18N2O — CID 90751378

IUPAC3-(2-methylpropylamino)butanamide
SMILESCC(C)CNC(C)CC(N)=O
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-7(3)4-8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyNHOPTMIWCTZNHQ-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.50
Rot. Bonds5

About 3-(2-methylpropylamino)butanamide

3-(2-methylpropylamino)butanamide (PubChem CID 90751378) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-(2-methylpropylamino)butanamide.

Molecular Properties

Compound Name3-(2-methylpropylamino)butanamide
PubChem CID90751378
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name3-(2-methylpropylamino)butanamide
SMILESCC(C)CNC(C)CC(N)=O
InChIInChI=1S/C8H18N2O/c1-6(2)5-10-7(3)4-8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11)
InChIKeyNHOPTMIWCTZNHQ-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylpropylamino)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-(ethylamino)butanamide
CID 18792210
methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
3-(propylamino)butanamide
CID 54855476
CID 178036338
CID 178036338
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422
3-methylbutanamide
CID 87933309
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
3-(3,3,3-trifluoropropylamino)butanamide
CID 115677417
3-[(4-amino-4-oxobutan-2-yl)amino]-2,2-difluoropropanoic acid
CID 165465811
3-(2-sulfamoylethylamino)butanamide
CID 114385219
(E)-4-[(4-amino-4-oxobutan-2-yl)amino]but-2-enoic acid
CID 103267449
3-(2-ethylsulfanylethylamino)butanamide
CID 104668703

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)butanamide?
The IUPAC name of 3-(2-methylpropylamino)butanamide (CID 90751378) is 3-(2-methylpropylamino)butanamide.
What is the SMILES notation for 3-(2-methylpropylamino)butanamide?
The canonical SMILES for 3-(2-methylpropylamino)butanamide is CC(C)CNC(C)CC(N)=O.
What is the InChIKey of 3-(2-methylpropylamino)butanamide?
The InChIKey is NHOPTMIWCTZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)5-10-7(3)4-8(9)11/h6-7,10H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 3-(2-methylpropylamino)butanamide?
3-(2-methylpropylamino)butanamide has a molecular weight of 158.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)butanamide is sourced from PubChem (CID 90751378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).