N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

C20H20N2O5 — CID 3240584

IUPACN-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C20H20N2O5/c23-19(21-11-13-3-8-16-18(10-13)27-12-26-16)14-4-6-15(7-5-14)22-20(24)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11-12H2,(H,21,23)(H,22,24)
InChIKeyLZEPUBCTPVAOKR-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide

N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 3240584) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID3240584
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C20H20N2O5/c23-19(21-11-13-3-8-16-18(10-13)27-12-26-16)14-4-6-15(7-5-14)22-20(24)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11-12H2,(H,21,23)(H,22,24)
InChIKeyLZEPUBCTPVAOKR-UHFFFAOYSA-N
XLogP2.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 3240584) is N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is LZEPUBCTPVAOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-19(21-11-13-3-8-16-18(10-13)27-12-26-16)14-4-6-15(7-5-14)22-20(24)17-2-1-9-25-17/h3-8,10,17H,1-2,9,11-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide?
N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 3240584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).