3-methyl-2-propoxybenzamide

C11H15NO2 — CID 3021807

IUPAC3-methyl-2-propoxybenzamide
SMILESCCCOc1c(C)cccc1C(N)=O
InChIInChI=1S/C11H15NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeyKOPJTACKPRAAQP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.88
Rot. Bonds4

About 3-methyl-2-propoxybenzamide

3-methyl-2-propoxybenzamide (PubChem CID 3021807) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-2-propoxybenzamide.

Molecular Properties

Compound Name3-methyl-2-propoxybenzamide
PubChem CID3021807
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-methyl-2-propoxybenzamide
SMILESCCCOc1c(C)cccc1C(N)=O
InChIInChI=1S/C11H15NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13)
InChIKeyKOPJTACKPRAAQP-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propoxybenzamide?
The IUPAC name of 3-methyl-2-propoxybenzamide (CID 3021807) is 3-methyl-2-propoxybenzamide.
What is the SMILES notation for 3-methyl-2-propoxybenzamide?
The canonical SMILES for 3-methyl-2-propoxybenzamide is CCCOc1c(C)cccc1C(N)=O.
What is the InChIKey of 3-methyl-2-propoxybenzamide?
The InChIKey is KOPJTACKPRAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-7-14-10-8(2)5-4-6-9(10)11(12)13/h4-6H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 3-methyl-2-propoxybenzamide?
3-methyl-2-propoxybenzamide has a molecular weight of 193.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propoxybenzamide is sourced from PubChem (CID 3021807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).