3-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H17NO2 — CID 531960

IUPAC3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H17NO2/c1-10-4-2-5-11(8-10)13(15)14-9-12-6-3-7-16-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyJZSLUHRDIFJWGK-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.90
Rot. Bonds3

About 3-methyl-N-(oxolan-2-ylmethyl)benzamide

3-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 531960) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID531960
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H17NO2/c1-10-4-2-5-11(8-10)13(15)14-9-12-6-3-7-16-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyJZSLUHRDIFJWGK-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 531960) is 3-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JZSLUHRDIFJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-4-2-5-11(8-10)13(15)14-9-12-6-3-7-16-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-(oxolan-2-ylmethyl)benzamide?
3-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).