3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide

C11H13NO3 — CID 16751964

IUPAC3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
SMILESCNC(=O)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13NO3/c1-12-11(14)7-10(13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyNOBIURINQDMGMB-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.01
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide

3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide (PubChem CID 16751964) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
PubChem CID16751964
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
SMILESCNC(=O)CC(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H13NO3/c1-12-11(14)7-10(13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyNOBIURINQDMGMB-UHFFFAOYSA-N
XLogP1.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.01
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

N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60681059
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
diethyl 2-[4-(4-methoxyphenyl)-4-oxobutan-2-ylidene]propanedioate
CID 71552891
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide (CID 16751964) is 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide is CNC(=O)CC(=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide?
The InChIKey is NOBIURINQDMGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-12-11(14)7-10(13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide?
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide has a molecular weight of 207.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide is sourced from PubChem (CID 16751964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).