3-methoxy-4-(2-oxobutoxy)benzamide

C12H15NO4 — CID 62039571

IUPAC3-methoxy-4-(2-oxobutoxy)benzamide
SMILESCCC(=O)COc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-3-9(14)7-17-10-5-4-8(12(13)15)6-11(10)16-2/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyHONBZFSUHIKOEJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.15
Rot. Bonds6

About 3-methoxy-4-(2-oxobutoxy)benzamide

3-methoxy-4-(2-oxobutoxy)benzamide (PubChem CID 62039571) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-methoxy-4-(2-oxobutoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(2-oxobutoxy)benzamide
PubChem CID62039571
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-methoxy-4-(2-oxobutoxy)benzamide
SMILESCCC(=O)COc1ccc(C(N)=O)cc1OC
InChIInChI=1S/C12H15NO4/c1-3-9(14)7-17-10-5-4-8(12(13)15)6-11(10)16-2/h4-6H,3,7H2,1-2H3,(H2,13,15)
InChIKeyHONBZFSUHIKOEJ-UHFFFAOYSA-N
XLogP1.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
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4-butoxy-3-methoxybenzamide
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1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
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4-methoxy-3-pentoxybenzamide
CID 82041442
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
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2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-oxobutoxy)benzamide?
The IUPAC name of 3-methoxy-4-(2-oxobutoxy)benzamide (CID 62039571) is 3-methoxy-4-(2-oxobutoxy)benzamide.
What is the SMILES notation for 3-methoxy-4-(2-oxobutoxy)benzamide?
The canonical SMILES for 3-methoxy-4-(2-oxobutoxy)benzamide is CCC(=O)COc1ccc(C(N)=O)cc1OC.
What is the InChIKey of 3-methoxy-4-(2-oxobutoxy)benzamide?
The InChIKey is HONBZFSUHIKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-9(14)7-17-10-5-4-8(12(13)15)6-11(10)16-2/h4-6H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 3-methoxy-4-(2-oxobutoxy)benzamide?
3-methoxy-4-(2-oxobutoxy)benzamide has a molecular weight of 237.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-oxobutoxy)benzamide is sourced from PubChem (CID 62039571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).