N-heptyl-4-hydroxy-2-methylbutanamide

C12H25NO2 — CID 2807485

IUPACN-heptyl-4-hydroxy-2-methylbutanamide
SMILESCCCCCCCNC(=O)C(C)CCO
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-9-13-12(15)11(2)8-10-14/h11,14H,3-10H2,1-2H3,(H,13,15)
InChIKeyBKDBGLNXABHIBY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds9

About N-heptyl-4-hydroxy-2-methylbutanamide

N-heptyl-4-hydroxy-2-methylbutanamide (PubChem CID 2807485) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-heptyl-4-hydroxy-2-methylbutanamide.

Molecular Properties

Compound NameN-heptyl-4-hydroxy-2-methylbutanamide
PubChem CID2807485
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-heptyl-4-hydroxy-2-methylbutanamide
SMILESCCCCCCCNC(=O)C(C)CCO
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-9-13-12(15)11(2)8-10-14/h11,14H,3-10H2,1-2H3,(H,13,15)
InChIKeyBKDBGLNXABHIBY-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
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-Dodecyl-4-hydroxybutyramide
CID 13060239
N-tetradecyl-gamma-hydroxybutyric acid amide
CID 10017647
N-Decyl-4-hydroxybutyramide
CID 11139345
N-butyl-4-hydroxybutanamide
CID 13060238
N-(6-Hydroxyhexyl)butanamide
CID 15732299
N,N'-Hexane-1,6-diylbis(4-hydroxybutyramide)
CID 14548420
4,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 168158646
2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 175403237
N-butyl-4-hydroxypentanamide
CID 79001558
N-(6-Aminohexyl)-4-hydroxybutyramide
CID 3024495
2-fluoro-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 109928293
4-hydroxy-N-nonylpentanamide
CID 2828250

Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-hydroxy-2-methylbutanamide?
The IUPAC name of N-heptyl-4-hydroxy-2-methylbutanamide (CID 2807485) is N-heptyl-4-hydroxy-2-methylbutanamide.
What is the SMILES notation for N-heptyl-4-hydroxy-2-methylbutanamide?
The canonical SMILES for N-heptyl-4-hydroxy-2-methylbutanamide is CCCCCCCNC(=O)C(C)CCO.
What is the InChIKey of N-heptyl-4-hydroxy-2-methylbutanamide?
The InChIKey is BKDBGLNXABHIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-5-6-7-9-13-12(15)11(2)8-10-14/h11,14H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-heptyl-4-hydroxy-2-methylbutanamide?
N-heptyl-4-hydroxy-2-methylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-hydroxy-2-methylbutanamide is sourced from PubChem (CID 2807485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).