N-benzyl-3-methoxyoxolane-3-carboxamide

C13H17NO3 — CID 131015413

IUPACN-benzyl-3-methoxyoxolane-3-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2)CCOC1
InChIInChI=1S/C13H17NO3/c1-16-13(7-8-17-10-13)12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyMUKCHYBXSROWRV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.11
Rot. Bonds4

About N-benzyl-3-methoxyoxolane-3-carboxamide

N-benzyl-3-methoxyoxolane-3-carboxamide (PubChem CID 131015413) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-benzyl-3-methoxyoxolane-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methoxyoxolane-3-carboxamide
PubChem CID131015413
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-benzyl-3-methoxyoxolane-3-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2)CCOC1
InChIInChI=1S/C13H17NO3/c1-16-13(7-8-17-10-13)12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyMUKCHYBXSROWRV-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxyoxolane-3-carboxamide?
The IUPAC name of N-benzyl-3-methoxyoxolane-3-carboxamide (CID 131015413) is N-benzyl-3-methoxyoxolane-3-carboxamide.
What is the SMILES notation for N-benzyl-3-methoxyoxolane-3-carboxamide?
The canonical SMILES for N-benzyl-3-methoxyoxolane-3-carboxamide is COC1(C(=O)NCc2ccccc2)CCOC1.
What is the InChIKey of N-benzyl-3-methoxyoxolane-3-carboxamide?
The InChIKey is MUKCHYBXSROWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-13(7-8-17-10-13)12(15)14-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15).
What are the key properties of N-benzyl-3-methoxyoxolane-3-carboxamide?
N-benzyl-3-methoxyoxolane-3-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxyoxolane-3-carboxamide is sourced from PubChem (CID 131015413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).