N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide

C8H15NO3 — CID 65036532

IUPACN-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC(C)CO
InChIInChI=1S/C8H15NO3/c1-6(5-10)4-9-8(12)3-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,12)
InChIKeyHIJBZMYYIDFTLS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.29
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide

N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide (PubChem CID 65036532) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
PubChem CID65036532
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCC(C)CO
InChIInChI=1S/C8H15NO3/c1-6(5-10)4-9-8(12)3-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,12)
InChIKeyHIJBZMYYIDFTLS-UHFFFAOYSA-N
XLogP-0.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.29
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

N-(2-methyl-3-methylsulfanylpropyl)-3-oxobutanamide
CID 63960200
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
2-chloro-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65034129
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858
3-acetamido-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031539
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbutanamide;yttrium
CID 58776208
N-(3-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741596
4-[(3-hydroxy-2-methylpropyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77055671
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
2,2,2-trifluoro-N-[(2S)-3-hydroxy-2-methylpropyl]acetamide
CID 130006525
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide (CID 65036532) is N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide is CC(=O)CC(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide?
The InChIKey is HIJBZMYYIDFTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(5-10)4-9-8(12)3-7(2)11/h6,10H,3-5H2,1-2H3,(H,9,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide?
N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide has a molecular weight of 173.21 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-oxobutanamide is sourced from PubChem (CID 65036532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).