2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide

C13H27N3O2 — CID 42954992

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)14-12(18)15-11(17)8-16(7)10(3)13(4,5)6/h9-10H,8H2,1-7H3,(H2,14,15,17,18)
InChIKeyAVZCVFWHUXCWBR-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.59
Rot. Bonds4

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 42954992) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID42954992
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)14-12(18)15-11(17)8-16(7)10(3)13(4,5)6/h9-10H,8H2,1-7H3,(H2,14,15,17,18)
InChIKeyAVZCVFWHUXCWBR-UHFFFAOYSA-N
XLogP1.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide 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-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide (CID 42954992) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CN(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is AVZCVFWHUXCWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)14-12(18)15-11(17)8-16(7)10(3)13(4,5)6/h9-10H,8H2,1-7H3,(H2,14,15,17,18).
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 42954992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).