N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide

C9H19NO2 — CID 88566845

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(CO)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)5-9(6-11)10(4)8(3)12/h7,9,11H,5-6H2,1-4H3
InChIKeyDFKLYVDTAMCTQB-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds4

About N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide

N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide (PubChem CID 88566845) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide
PubChem CID88566845
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(CO)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)5-9(6-11)10(4)8(3)12/h7,9,11H,5-6H2,1-4H3
InChIKeyDFKLYVDTAMCTQB-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
2-(Diethylamino)-4-methylpentan-1-ol
CID 21114901
Tert-butyl-(4-fluoro-1-hydroxy-4-methylpentan-2-yl)carbamic acid
CID 86695941
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
CID 39236462
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
Tert-butyl-(1-hydroxy-4-methylpentan-2-yl)carbamic acid
CID 19820729
N-(1-hydroxy-3-methylpentan-2-yl)acetamide
CID 20028423
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpropanamide
CID 20635105
N-(1-hydroxy-4-methylpentan-2-yl)-2,2-dimethylpropanamide
CID 23293164
1-(4-Hydroxy-2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 23588936
1-[2-(Hydroxymethyl)-4-methylpyrrolidin-1-yl]ethanone
CID 23599166

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide (CID 88566845) is N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide is CC(=O)N(C)C(CO)CC(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide?
The InChIKey is DFKLYVDTAMCTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)5-9(6-11)10(4)8(3)12/h7,9,11H,5-6H2,1-4H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide has a molecular weight of 173.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-N-methylacetamide is sourced from PubChem (CID 88566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).