2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide

C9H19NO2 — CID 115186413

IUPAC2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
SMILESCCC(CO)C(=O)N(C)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(6-11)9(12)10(4)7(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyXUOJLTQZLMWBDO-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds4

About 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide

2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide (PubChem CID 115186413) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
PubChem CID115186413
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
SMILESCCC(CO)C(=O)N(C)C(C)C
InChIInChI=1S/C9H19NO2/c1-5-8(6-11)9(12)10(4)7(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyXUOJLTQZLMWBDO-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-methyl-2-(methylaminomethyl)-N-propan-2-ylbutanamide
CID 115188783
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide
CID 115186409
N,N',2-trimethyl-N,N'-di(propan-2-yl)propanediamide
CID 174342776
(2S)-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
CID 59641758
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
1-(dimethylamino)-4-ethylhexan-3-one
CID 115345730
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
sodium 2-(hydroxymethyl)butanoate
CID 23711714
N,N-diethyl-2-[[methyl(propan-2-yl)amino]methyl]butanamide
CID 153397334
N-(5-bromo-2-methoxyphenyl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186443

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide (CID 115186413) is 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide is CCC(CO)C(=O)N(C)C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide?
The InChIKey is XUOJLTQZLMWBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-8(6-11)9(12)10(4)7(2)3/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide?
2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide 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 2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 115186413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).