3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide

C12H15NO5 — CID 107508253

IUPAC3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
SMILESCOCC(=O)COc1cc(OC)cc(C(N)=O)c1
InChIInChI=1S/C12H15NO5/c1-16-6-9(14)7-18-11-4-8(12(13)15)3-10(5-11)17-2/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyOLOHWPJDMUWHKG-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.39
Rot. Bonds7

About 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide

3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide (PubChem CID 107508253) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
PubChem CID107508253
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
SMILESCOCC(=O)COc1cc(OC)cc(C(N)=O)c1
InChIInChI=1S/C12H15NO5/c1-16-6-9(14)7-18-11-4-8(12(13)15)3-10(5-11)17-2/h3-5H,6-7H2,1-2H3,(H2,13,15)
InChIKeyOLOHWPJDMUWHKG-UHFFFAOYSA-N
XLogP0.39
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107507960
(E)-4-(3-carbamoyl-5-methoxyphenoxy)but-2-enoic acid
CID 103566258
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide
CID 103568039
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1,3,5-trimethoxybenzene;urea
CID 174919725
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
3,5-di(pentadecoxy)benzamide
CID 69275649
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
2-(3-carbamothioyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 103567401

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide?
The IUPAC name of 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide (CID 107508253) is 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide.
What is the SMILES notation for 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide?
The canonical SMILES for 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide is COCC(=O)COc1cc(OC)cc(C(N)=O)c1.
What is the InChIKey of 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide?
The InChIKey is OLOHWPJDMUWHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-6-9(14)7-18-11-4-8(12(13)15)3-10(5-11)17-2/h3-5H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide?
3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide has a molecular weight of 253.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide is sourced from PubChem (CID 107508253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).