4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide

C11H24N2O2 — CID 64548926

IUPAC4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide
SMILESCCC(C)(CO)NCCCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(2,9-14)12-8-6-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3
InChIKeyBNURYJOOPPDQLR-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.61
Rot. Bonds7

About 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide

4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide (PubChem CID 64548926) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide
PubChem CID64548926
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide
SMILESCCC(C)(CO)NCCCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(2,9-14)12-8-6-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3
InChIKeyBNURYJOOPPDQLR-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide (CID 64548926) is 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide is CCC(C)(CO)NCCCC(=O)N(C)C.
What is the InChIKey of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide?
The InChIKey is BNURYJOOPPDQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(2,9-14)12-8-6-7-10(15)13(3)4/h12,14H,5-9H2,1-4H3.
What are the key properties of 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide?
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 64548926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).