4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide

C12H25NO2 — CID 115163175

IUPAC4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
SMILESCC(C)CC(C)(C)CNC(=O)CCCO
InChIInChI=1S/C12H25NO2/c1-10(2)8-12(3,4)9-13-11(15)6-5-7-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeySYJYURWRLWWYGN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds7

About 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide

4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide (PubChem CID 115163175) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
PubChem CID115163175
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
SMILESCC(C)CC(C)(C)CNC(=O)CCCO
InChIInChI=1S/C12H25NO2/c1-10(2)8-12(3,4)9-13-11(15)6-5-7-14/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeySYJYURWRLWWYGN-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
2-(methylamino)-N-(2,2,4-trimethylpentyl)acetamide;hydrochloride
CID 119820253
N-(2,2-dimethylpropyl)-5-hydroxypentanamide
CID 79209264
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
3-[2-[[3-oxo-3-(2,2,4,4-tetramethylpentylamino)propyl]-propan-2-ylamino]ethyl-propan-2-ylamino]-N-(2,2,4-trimethylpentyl)propanamide
CID 89061392
2,2,2-trifluoro-N-(2,2,4-trimethylpentyl)acetamide
CID 115190376
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybutanamide
CID 103899565

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide?
The IUPAC name of 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide (CID 115163175) is 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide?
The canonical SMILES for 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide is CC(C)CC(C)(C)CNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide?
The InChIKey is SYJYURWRLWWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)8-12(3,4)9-13-11(15)6-5-7-14/h10,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide?
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide is sourced from PubChem (CID 115163175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).