4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide

C11H22N2O3 — CID 137383446

IUPAC4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide
SMILESCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C11H22N2O3/c1-4-9(15)12-5-6-13-10(16)7-11(2,3)8-14/h14H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyPFWSYKUKSKOJKK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.04
Rot. Bonds7

About 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide

4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide (PubChem CID 137383446) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide
PubChem CID137383446
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide
SMILESCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C11H22N2O3/c1-4-9(15)12-5-6-13-10(16)7-11(2,3)8-14/h14H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyPFWSYKUKSKOJKK-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]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-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide?
The IUPAC name of 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide (CID 137383446) is 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide is CCC(=O)NCCNC(=O)CC(C)(C)CO.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide?
The InChIKey is PFWSYKUKSKOJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-9(15)12-5-6-13-10(16)7-11(2,3)8-14/h14H,4-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide?
4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of 0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3-dimethyl-N-[2-(propanoylamino)ethyl]butanamide is sourced from PubChem (CID 137383446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).