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

C11H13NO4 — CID 62030666

IUPAC3-methoxy-4-(2-oxopropoxy)benzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(C)=O
InChIInChI=1S/C11H13NO4/c1-7(13)6-16-9-4-3-8(11(12)14)5-10(9)15-2/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyPXRQQISYBBYETH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.76
Rot. Bonds5

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

3-methoxy-4-(2-oxopropoxy)benzamide (PubChem CID 62030666) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-methoxy-4-(2-oxopropoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(2-oxopropoxy)benzamide
PubChem CID62030666
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-methoxy-4-(2-oxopropoxy)benzamide
SMILESCOc1cc(C(N)=O)ccc1OCC(C)=O
InChIInChI=1S/C11H13NO4/c1-7(13)6-16-9-4-3-8(11(12)14)5-10(9)15-2/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyPXRQQISYBBYETH-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

4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-(2-oxobutoxy)benzamide
CID 62039571
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
4-butoxy-3-methoxybenzamide
CID 47102628
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-acetamido-3-(4-carbamoyl-2-methoxyphenoxy)propanoic acid
CID 65442777
4-[(4-tert-butylphenyl)methoxy]-3-methoxybenzamide
CID 82186131
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
4-methoxy-3-pentoxybenzamide
CID 82041442
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-oxopropoxy)benzamide?
The IUPAC name of 3-methoxy-4-(2-oxopropoxy)benzamide (CID 62030666) is 3-methoxy-4-(2-oxopropoxy)benzamide.
What is the SMILES notation for 3-methoxy-4-(2-oxopropoxy)benzamide?
The canonical SMILES for 3-methoxy-4-(2-oxopropoxy)benzamide is COc1cc(C(N)=O)ccc1OCC(C)=O.
What is the InChIKey of 3-methoxy-4-(2-oxopropoxy)benzamide?
The InChIKey is PXRQQISYBBYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(13)6-16-9-4-3-8(11(12)14)5-10(9)15-2/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of 3-methoxy-4-(2-oxopropoxy)benzamide?
3-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 3-methoxy-4-(2-oxopropoxy)benzamide is sourced from PubChem (CID 62030666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).