2-methoxy-4-(2-oxopropoxy)benzamide

C11H13NO4 — CID 91220438

IUPAC2-methoxy-4-(2-oxopropoxy)benzamide
SMILESCOc1cc(OCC(C)=O)ccc1C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(13)6-16-8-3-4-9(11(12)14)10(5-8)15-2/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyJBYXJSBXJBGNFW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.76
Rot. Bonds5

About 2-methoxy-4-(2-oxopropoxy)benzamide

2-methoxy-4-(2-oxopropoxy)benzamide (PubChem CID 91220438) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methoxy-4-(2-oxopropoxy)benzamide.

Molecular Properties

Compound Name2-methoxy-4-(2-oxopropoxy)benzamide
PubChem CID91220438
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-methoxy-4-(2-oxopropoxy)benzamide
SMILESCOc1cc(OCC(C)=O)ccc1C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(13)6-16-8-3-4-9(11(12)14)10(5-8)15-2/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyJBYXJSBXJBGNFW-UHFFFAOYSA-N
XLogP0.76
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
2,4-diethoxybenzamide
CID 17145726
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
4-chloro-2-methoxybenzamide
CID 19741766
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
2-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-4-methoxybenzamide
CID 18143078
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
CID 47014341
2-[(3-fluorophenyl)methoxy]-4-methoxybenzamide
CID 17495497
(2-carbamoyl-5-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 18084445
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-oxopropoxy)benzamide?
The IUPAC name of 2-methoxy-4-(2-oxopropoxy)benzamide (CID 91220438) is 2-methoxy-4-(2-oxopropoxy)benzamide.
What is the SMILES notation for 2-methoxy-4-(2-oxopropoxy)benzamide?
The canonical SMILES for 2-methoxy-4-(2-oxopropoxy)benzamide is COc1cc(OCC(C)=O)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-(2-oxopropoxy)benzamide?
The InChIKey is JBYXJSBXJBGNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)6-16-8-3-4-9(11(12)14)10(5-8)15-2/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of 2-methoxy-4-(2-oxopropoxy)benzamide?
2-methoxy-4-(2-oxopropoxy)benzamide has a molecular weight of 223.23 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-oxopropoxy)benzamide is sourced from PubChem (CID 91220438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).