3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide

C12H25NO2 — CID 166773435

IUPAC3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
SMILESCCC(C)CCCCNC(=O)C(C)CO
InChIInChI=1S/C12H25NO2/c1-4-10(2)7-5-6-8-13-12(15)11(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyPLFWYQXQLSFWFN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds8

About 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide

3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide (PubChem CID 166773435) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
PubChem CID166773435
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide
SMILESCCC(C)CCCCNC(=O)C(C)CO
InChIInChI=1S/C12H25NO2/c1-4-10(2)7-5-6-8-13-12(15)11(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyPLFWYQXQLSFWFN-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

2,2,2-trifluoro-N-(5-methylheptyl)acetamide
CID 143979183
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
2-ethyl-N-(5-hydroxy-4-methylpentyl)butanamide
CID 103861792
2-methyl-N-nonyldecanamide
CID 141429494
4-methylhexylurea
CID 59582725
N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
CID 153371112
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
methyl N-(4-methylhexyl)carbamate
CID 126664152
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide (CID 166773435) is 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide is CCC(C)CCCCNC(=O)C(C)CO.
What is the InChIKey of 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide?
The InChIKey is PLFWYQXQLSFWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-10(2)7-5-6-8-13-12(15)11(3)9-14/h10-11,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide?
3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(5-methylheptyl)propanamide is sourced from PubChem (CID 166773435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).