N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide

C16H32N2O2 — CID 130332839

IUPACN-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide
SMILESCCC(=O)NC(C)(C)CC(C)(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-9-12(19)17-15(5,6)11-16(7,8)18-13(20)10-14(2,3)4/h9-11H2,1-8H3,(H,17,19)(H,18,20)
InChIKeyUTTADXUADSKUBK-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.01
Rot. Bonds6

About N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide

N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide (PubChem CID 130332839) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide
PubChem CID130332839
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide
SMILESCCC(=O)NC(C)(C)CC(C)(C)NC(=O)CC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-9-12(19)17-15(5,6)11-16(7,8)18-13(20)10-14(2,3)4/h9-11H2,1-8H3,(H,17,19)(H,18,20)
InChIKeyUTTADXUADSKUBK-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide 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-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide (CID 130332839) is N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide is CCC(=O)NC(C)(C)CC(C)(C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is UTTADXUADSKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-9-12(19)17-15(5,6)11-16(7,8)18-13(20)10-14(2,3)4/h9-11H2,1-8H3,(H,17,19)(H,18,20).
What are the key properties of N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide?
N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 284.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-4-(propanoylamino)pentan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 130332839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).