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

C12H25NO2 — CID 66180259

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-12(6,15)8-13-10(14)11(3,4)5/h9,15H,7-8H2,1-6H3,(H,13,14)
InChIKeyPICFLGBCKLMJAC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds4

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

N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide (PubChem CID 66180259) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
PubChem CID66180259
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
SMILESCC(C)CC(C)(O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)7-12(6,15)8-13-10(14)11(3,4)5/h9,15H,7-8H2,1-6H3,(H,13,14)
InChIKeyPICFLGBCKLMJAC-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
CID 77114238
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 80555177
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
N-(2-hydroxy-2,4-dimethylpentyl)-2-propylpentanamide
CID 82986949
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
2-cycloheptyl-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 114458366
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide (CID 66180259) is N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide is CC(C)CC(C)(O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide?
The InChIKey is PICFLGBCKLMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)7-12(6,15)8-13-10(14)11(3,4)5/h9,15H,7-8H2,1-6H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide?
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 66180259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).