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

C9H20N2O2 — CID 137383420

IUPAC4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C9H20N2O2/c1-9(2,7-12)6-8(13)11-5-4-10-3/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeySIHIKTYWIKTUDQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.27
Rot. Bonds6

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

4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide (PubChem CID 137383420) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide
PubChem CID137383420
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide
SMILESCNCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C9H20N2O2/c1-9(2,7-12)6-8(13)11-5-4-10-3/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKeySIHIKTYWIKTUDQ-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.27
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-(methylamino)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-(methylamino)ethyl]butanamide?
The IUPAC name of 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide (CID 137383420) is 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide is CNCCNC(=O)CC(C)(C)CO.
What is the InChIKey of 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide?
The InChIKey is SIHIKTYWIKTUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,7-12)6-8(13)11-5-4-10-3/h10,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide?
4-hydroxy-3,3-dimethyl-N-[2-(methylamino)ethyl]butanamide has a molecular weight of 188.27 g/mol, XLogP of -0.27, 6 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-(methylamino)ethyl]butanamide is sourced from PubChem (CID 137383420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).