N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide

C8H15NO3 — CID 104551888

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)C(C)CO
InChIInChI=1S/C8H15NO3/c1-6(5-10)9(3)8(12)4-7(2)11/h6,10H,4-5H2,1-3H3
InChIKeyFDVKAQLUUNHBDC-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.20
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide

N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide (PubChem CID 104551888) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
PubChem CID104551888
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(C)C(C)CO
InChIInChI=1S/C8H15NO3/c1-6(5-10)9(3)8(12)4-7(2)11/h6,10H,4-5H2,1-3H3
InChIKeyFDVKAQLUUNHBDC-UHFFFAOYSA-N
XLogP-0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
N-(1-hydroxypropan-2-yl)-N-methylbut-3-enamide
CID 104553462
2-(cyclopropylamino)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551708
N-(1-hydroxypropan-2-yl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 115869500
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
2,2-diethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-4-oxobutanoic acid
CID 104551496
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 104553103
N-butan-2-yl-N-ethyl-3-oxobutanamide
CID 43274631
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide (CID 104551888) is N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide is CC(=O)CC(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide?
The InChIKey is FDVKAQLUUNHBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(5-10)9(3)8(12)4-7(2)11/h6,10H,4-5H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide?
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide has a molecular weight of 173.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide is sourced from PubChem (CID 104551888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).