N-ethyl-2-(hydroxymethyl)-N-methylbutanamide

C8H17NO2 — CID 115186409

IUPACN-ethyl-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-7(6-10)8(11)9(3)5-2/h7,10H,4-6H2,1-3H3
InChIKeyHMNQQCYRUQYJGA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.48
Rot. Bonds4

About N-ethyl-2-(hydroxymethyl)-N-methylbutanamide

N-ethyl-2-(hydroxymethyl)-N-methylbutanamide (PubChem CID 115186409) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-ethyl-2-(hydroxymethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-(hydroxymethyl)-N-methylbutanamide
PubChem CID115186409
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-ethyl-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)CC
InChIInChI=1S/C8H17NO2/c1-4-7(6-10)8(11)9(3)5-2/h7,10H,4-6H2,1-3H3
InChIKeyHMNQQCYRUQYJGA-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-N-methyl-N-propan-2-ylbutanamide
CID 115186413
N-[2-(dimethylamino)ethyl]-2-ethyl-N-methylbutanamide
CID 110481330
N-ethyl-N,2-dimethylbutanamide
CID 89343843
2-(hydroxymethyl)-N-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 115186654
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753
N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)-N-methylbutanamide
CID 115186751
(2R)-2-(hydroxymethyl)butanoic acid
CID 11586303
1-(dimethylamino)-4-ethylhexan-3-one
CID 115345730
N-ethyl-N,2-dimethyl-3-oxobutanamide
CID 18683063
2-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-yl)butanamide
CID 115186463
sodium 2-(hydroxymethyl)butanoate
CID 23711714
N-(2-chloroethyl)-2-ethyl-N-methylhexanamide
CID 63391803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hydroxymethyl)-N-methylbutanamide?
The IUPAC name of N-ethyl-2-(hydroxymethyl)-N-methylbutanamide (CID 115186409) is N-ethyl-2-(hydroxymethyl)-N-methylbutanamide.
What is the SMILES notation for N-ethyl-2-(hydroxymethyl)-N-methylbutanamide?
The canonical SMILES for N-ethyl-2-(hydroxymethyl)-N-methylbutanamide is CCC(CO)C(=O)N(C)CC.
What is the InChIKey of N-ethyl-2-(hydroxymethyl)-N-methylbutanamide?
The InChIKey is HMNQQCYRUQYJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(6-10)8(11)9(3)5-2/h7,10H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-(hydroxymethyl)-N-methylbutanamide?
N-ethyl-2-(hydroxymethyl)-N-methylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hydroxymethyl)-N-methylbutanamide is sourced from PubChem (CID 115186409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).