N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide

C12H23NO3 — CID 107153016

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(14)5-6-11(16)13-8-10(15)7-12(2,3)4/h10,15H,5-8H2,1-4H3,(H,13,16)
InChIKeySHLDZFGFRMMZCC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.27
Rot. Bonds6

About N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide

N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide (PubChem CID 107153016) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
PubChem CID107153016
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(14)5-6-11(16)13-8-10(15)7-12(2,3)4/h10,15H,5-8H2,1-4H3,(H,13,16)
InChIKeySHLDZFGFRMMZCC-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
4-(2-aminoethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152864
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxopentanamide
CID 106173492
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
CID 107151804
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
2-anilino-N-(2-hydroxy-4,4-dimethylpentyl)acetamide
CID 103811917
3-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)-5-methylhexanamide
CID 107152806
4-[(2-hydroxy-4,4-dimethylpentyl)carbamoylamino]butanoic acid
CID 122023225
N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
1-[2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107151197
2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103722198

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide (CID 107153016) is N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide is CC(=O)CCC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide?
The InChIKey is SHLDZFGFRMMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(14)5-6-11(16)13-8-10(15)7-12(2,3)4/h10,15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide?
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide is sourced from PubChem (CID 107153016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).