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

C13H17NO3 — CID 532275

IUPAC4-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)13(15)14-9-12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyFGHCTPHRJBXBLK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds4

About 4-methoxy-N-(oxolan-2-ylmethyl)benzamide

4-methoxy-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 532275) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-methoxy-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(oxolan-2-ylmethyl)benzamide
PubChem CID532275
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-methoxy-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)13(15)14-9-12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyFGHCTPHRJBXBLK-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 4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-(oxolan-2-ylmethyl)benzamide (CID 532275) is 4-methoxy-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is FGHCTPHRJBXBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)13(15)14-9-12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of 4-methoxy-N-(oxolan-2-ylmethyl)benzamide?
4-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 4-methoxy-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 532275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).