2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide

C12H15NO3 — CID 82114479

IUPAC2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
SMILESCOc1cccc(C(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C12H15NO3/c1-8(2)13-12(15)11(14)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3,(H,13,15)
InChIKeyGWAAMYBHNKLJQX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.40
Rot. Bonds4

About 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide

2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 82114479) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
PubChem CID82114479
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
SMILESCOc1cccc(C(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C12H15NO3/c1-8(2)13-12(15)11(14)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3,(H,13,15)
InChIKeyGWAAMYBHNKLJQX-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351520
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
2-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxoacetamide
CID 82123593
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
methyl 2-[(3-methoxybenzoyl)-propan-2-ylamino]acetate
CID 54941995
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide (CID 82114479) is 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide is COc1cccc(C(=O)C(=O)NC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is GWAAMYBHNKLJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(2)13-12(15)11(14)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3,(H,13,15).
What are the key properties of 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide?
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 221.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 82114479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).