N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

C12H25NO2 — CID 103861513

IUPACN-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(CO)CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-14)6-5-7-13-11(15)8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyONAIHYQVILBLQT-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide

N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (PubChem CID 103861513) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
PubChem CID103861513
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
SMILESCC(CO)CCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-10(9-14)6-5-7-13-11(15)8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyONAIHYQVILBLQT-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclopropanecarboxamide
CID 71787566
N-(5-hydroxypentyl)butanamide
CID 15732298
N-isobutyl-5-hydroxypentanamide
CID 21618528
N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
CID 71917016
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
4,4,4-trifluoro-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103862001
2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103862024
3,3,3-trifluoro-N-(5-hydroxy-4-methylpentyl)propanamide
CID 103862031
2,2,2-trifluoro-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862042
4,4,4-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 103899394
3,3,3-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103899402

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide (CID 103861513) is N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is CC(CO)CCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
The InChIKey is ONAIHYQVILBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(9-14)6-5-7-13-11(15)8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide?
N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103861513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).