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

C13H17NO3 — CID 531836

IUPAC3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyCXNMRTSCFAKPIT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds4

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

3-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 531836) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID531836
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15)
InChIKeyCXNMRTSCFAKPIT-UHFFFAOYSA-N
XLogP1.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 531836) is 3-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1cccc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CXNMRTSCFAKPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-5-2-4-10(8-11)13(15)14-9-12-6-3-7-17-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-N-(oxolan-2-ylmethyl)benzamide?
3-methoxy-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 531836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).