N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide

C13H17NO4 — CID 2970691

IUPACN-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1OC
InChIInChI=1S/C13H17NO4/c1-16-10-6-5-9(8-12(10)17-2)14-13(15)11-4-3-7-18-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIGZJLNZLUXIBOA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.82
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide

N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide (PubChem CID 2970691) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
PubChem CID2970691
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(3,4-dimethoxyphenyl)oxolane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCO2)cc1OC
InChIInChI=1S/C13H17NO4/c1-16-10-6-5-9(8-12(10)17-2)14-13(15)11-4-3-7-18-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyIGZJLNZLUXIBOA-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide (CID 2970691) is N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide is COc1ccc(NC(=O)C2CCCO2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is IGZJLNZLUXIBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-16-10-6-5-9(8-12(10)17-2)14-13(15)11-4-3-7-18-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide?
N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 2970691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).