N-(5-hydroxy-4,4-dimethylpentyl)propanamide

C10H21NO2 — CID 23563450

IUPACN-(5-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCCC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-4-9(13)11-7-5-6-10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyLUDMHFMJDWTIQN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds6

About N-(5-hydroxy-4,4-dimethylpentyl)propanamide

N-(5-hydroxy-4,4-dimethylpentyl)propanamide (PubChem CID 23563450) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(5-hydroxy-4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4,4-dimethylpentyl)propanamide
PubChem CID23563450
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(5-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCCC(=O)NCCCC(C)(C)CO
InChIInChI=1S/C10H21NO2/c1-4-9(13)11-7-5-6-10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKeyLUDMHFMJDWTIQN-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
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-(5-Hydroxypentyl)acetamide
CID 12914604
N-(3-hydroxy-4,4-dimethylpentyl)pivalamide
CID 71787568
N-(5-hydroxypentyl)butanamide
CID 15732298
N-isobutyl-5-hydroxypentanamide
CID 21618528
3-(2,2-difluoroethoxy)-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 103526832
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
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
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
2,2,2-trifluoro-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899670

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4,4-dimethylpentyl)propanamide?
The IUPAC name of N-(5-hydroxy-4,4-dimethylpentyl)propanamide (CID 23563450) is N-(5-hydroxy-4,4-dimethylpentyl)propanamide.
What is the SMILES notation for N-(5-hydroxy-4,4-dimethylpentyl)propanamide?
The canonical SMILES for N-(5-hydroxy-4,4-dimethylpentyl)propanamide is CCC(=O)NCCCC(C)(C)CO.
What is the InChIKey of N-(5-hydroxy-4,4-dimethylpentyl)propanamide?
The InChIKey is LUDMHFMJDWTIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(13)11-7-5-6-10(2,3)8-12/h12H,4-8H2,1-3H3,(H,11,13).
What are the key properties of N-(5-hydroxy-4,4-dimethylpentyl)propanamide?
N-(5-hydroxy-4,4-dimethylpentyl)propanamide has a molecular weight of 187.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 23563450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).