N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide

C12H25NO2 — CID 109479134

IUPACN-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
SMILESCCC(CCO)NC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-10(7-9-14)13-11(15)6-8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyWDYXUJDZEXIQNH-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide

N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide (PubChem CID 109479134) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
PubChem CID109479134
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
SMILESCCC(CCO)NC(=O)CCC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-10(7-9-14)13-11(15)6-8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15)
InChIKeyWDYXUJDZEXIQNH-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
CID 109479267
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107221314
6-amino-N-[(2S)-1-hydroxybutan-2-yl]-4,4-dimethylhexanamide
CID 107222403
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 115735088
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide (CID 109479134) is N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide is CCC(CCO)NC(=O)CCC(C)(C)C.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide?
The InChIKey is WDYXUJDZEXIQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-10(7-9-14)13-11(15)6-8-12(2,3)4/h10,14H,5-9H2,1-4H3,(H,13,15).
What are the key properties of N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide?
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 109479134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).