N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide

C12H24N2O3 — CID 137383450

IUPACN-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
SMILESCCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C12H24N2O3/c1-4-5-10(16)13-6-7-14-11(17)8-12(2,3)9-15/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZFOLJLLUPJXZSN-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds8

About N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide

N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide (PubChem CID 137383450) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
PubChem CID137383450
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide
SMILESCCCC(=O)NCCNC(=O)CC(C)(C)CO
InChIInChI=1S/C12H24N2O3/c1-4-5-10(16)13-6-7-14-11(17)8-12(2,3)9-15/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyZFOLJLLUPJXZSN-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide (CID 137383450) is N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide is CCCC(=O)NCCNC(=O)CC(C)(C)CO.
What is the InChIKey of N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
The InChIKey is ZFOLJLLUPJXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-10(16)13-6-7-14-11(17)8-12(2,3)9-15/h15H,4-9H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide?
N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)ethyl]-4-hydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 137383450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).