4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide

C14H31N3O — CID 63053089

IUPAC4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC(C)C)C(C)C)C(N)=O
InChIInChI=1S/C14H31N3O/c1-6-8-16-13(14(15)18)7-9-17(12(4)5)10-11(2)3/h11-13,16H,6-10H2,1-5H3,(H2,15,18)
InChIKeyKEBFZFRFJXPJLY-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.60
Rot. Bonds10

About 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide

4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide (PubChem CID 63053089) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
PubChem CID63053089
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide
SMILESCCCNC(CCN(CC(C)C)C(C)C)C(N)=O
InChIInChI=1S/C14H31N3O/c1-6-8-16-13(14(15)18)7-9-17(12(4)5)10-11(2)3/h11-13,16H,6-10H2,1-5H3,(H2,15,18)
InChIKeyKEBFZFRFJXPJLY-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide 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 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide?
The IUPAC name of 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide (CID 63053089) is 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide?
The canonical SMILES for 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide is CCCNC(CCN(CC(C)C)C(C)C)C(N)=O.
What is the InChIKey of 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide?
The InChIKey is KEBFZFRFJXPJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-8-16-13(14(15)18)7-9-17(12(4)5)10-11(2)3/h11-13,16H,6-10H2,1-5H3,(H2,15,18).
What are the key properties of 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide?
4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide has a molecular weight of 257.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpropyl(propan-2-yl)amino]-2-(propylamino)butanamide is sourced from PubChem (CID 63053089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).