2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide

C13H17NO4 — CID 94269258

IUPAC2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-4-7-14-13(16)12(15)9-5-6-10(17-2)11(8-9)18-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyYEOCAFYHHLZXAN-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide

2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide (PubChem CID 94269258) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
PubChem CID94269258
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-4-7-14-13(16)12(15)9-5-6-10(17-2)11(8-9)18-3/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyYEOCAFYHHLZXAN-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
2-(3,4-dimethoxyphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412065
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 94281483
3,4-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822911
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
(Z)-2-(3,4-dimethoxyphenyl)-3-(propylamino)but-2-enenitrile
CID 102146061
3-bromo-4-methoxy-N-(propylcarbamothioyl)benzamide
CID 4925860
2-(3,4-dimethoxyphenyl)-2-oxoacetyl chloride
CID 141177100
4-amino-3-methoxy-N-propylbenzamide
CID 67095444

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide (CID 94269258) is 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide is CCCNC(=O)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide?
The InChIKey is YEOCAFYHHLZXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-7-14-13(16)12(15)9-5-6-10(17-2)11(8-9)18-3/h5-6,8H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide?
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide is sourced from PubChem (CID 94269258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).