N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide

C7H13NO3 — CID 20648240

IUPACN-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
SMILESCC(=O)C(C)C(=O)NCCO
InChIInChI=1S/C7H13NO3/c1-5(6(2)10)7(11)8-3-4-9/h5,9H,3-4H2,1-2H3,(H,8,11)
InChIKeyZLJNVMSAHKSYEV-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.68
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide

N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide (PubChem CID 20648240) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
PubChem CID20648240
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-oxobutanamide
SMILESCC(=O)C(C)C(=O)NCCO
InChIInChI=1S/C7H13NO3/c1-5(6(2)10)7(11)8-3-4-9/h5,9H,3-4H2,1-2H3,(H,8,11)
InChIKeyZLJNVMSAHKSYEV-UHFFFAOYSA-N
XLogP-0.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-hydroxyethyl)-3-methylbutanamide
CID 130024184
2,2-dichloro-N-(2-hydroxyethyl)acetamide
CID 5228722
2-amino-N,N'-bis(2-hydroxyethyl)propanediamide
CID 173250932
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
3-amino-N-(2-hydroxyethyl)-2-methylpropanamide
CID 54555473
N-(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115582870
2-hydroxy-N-(2-hydroxyethyl)propanamide;phosphoric acid
CID 87238089
2,4-diethyl-N,N'-bis(2-hydroxyethyl)pentanediamide
CID 89382357
2-hydroxy-N-(2-hydroxyethyl)butanamide
CID 86250603
N,N'-bis(2-hydroxyethyl)-2,4-bis(sulfanyl)pentanediamide
CID 23104493
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea
CID 108914760
N-(2-hydroxyethyl)-2-methyl-3-propan-2-yloxypropanamide
CID 139806299

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide (CID 20648240) is N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide is CC(=O)C(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide?
The InChIKey is ZLJNVMSAHKSYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(6(2)10)7(11)8-3-4-9/h5,9H,3-4H2,1-2H3,(H,8,11).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide?
N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide has a molecular weight of 159.18 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3-oxobutanamide is sourced from PubChem (CID 20648240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).