2-ethyl-3-methoxybenzamide

C10H13NO2 — CID 22004485

IUPAC2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(N)=O
InChIInChI=1S/C10H13NO2/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyZAAPDUHYPILGDZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.36
Rot. Bonds3

About 2-ethyl-3-methoxybenzamide

2-ethyl-3-methoxybenzamide (PubChem CID 22004485) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-ethyl-3-methoxybenzamide.

Molecular Properties

Compound Name2-ethyl-3-methoxybenzamide
PubChem CID22004485
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(N)=O
InChIInChI=1S/C10H13NO2/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H2,11,12)
InChIKeyZAAPDUHYPILGDZ-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methoxybenzamide?
The IUPAC name of 2-ethyl-3-methoxybenzamide (CID 22004485) is 2-ethyl-3-methoxybenzamide.
What is the SMILES notation for 2-ethyl-3-methoxybenzamide?
The canonical SMILES for 2-ethyl-3-methoxybenzamide is CCc1c(OC)cccc1C(N)=O.
What is the InChIKey of 2-ethyl-3-methoxybenzamide?
The InChIKey is ZAAPDUHYPILGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H2,11,12).
What are the key properties of 2-ethyl-3-methoxybenzamide?
2-ethyl-3-methoxybenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methoxybenzamide is sourced from PubChem (CID 22004485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).