2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide

C9H19NO2 — CID 104936395

IUPAC2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)(C)O
InChIInChI=1S/C9H19NO2/c1-7(2)5-6-10-8(11)9(3,4)12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyAVGORPQQOQABAY-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.92
Rot. Bonds4

About 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide

2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide (PubChem CID 104936395) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
PubChem CID104936395
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)(C)O
InChIInChI=1S/C9H19NO2/c1-7(2)5-6-10-8(11)9(3,4)12/h7,12H,5-6H2,1-4H3,(H,10,11)
InChIKeyAVGORPQQOQABAY-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
2-hydroxy-2-methyl-N-(5-methylhexyl)propanamide
CID 103430276
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
1,3-bis(3-methylbutyl)urea
CID 22563958
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
N-[3-(dimethylamino)propyl]-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108960555
2-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 103430628
3-(4-acetylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylbutyl)-3-oxopropanamide
CID 108961221
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methylbutyl)nonanamide
CID 3089869
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(3-methylbutyl)heptanamide
CID 3089865

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide (CID 104936395) is 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide?
The InChIKey is AVGORPQQOQABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)5-6-10-8(11)9(3,4)12/h7,12H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide?
2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide has a molecular weight of 173.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 104936395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).