N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide

C13H17NO3 — CID 2933005

IUPACN-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyVUHXHMGNBINEHD-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.49
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide

N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide (PubChem CID 2933005) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
PubChem CID2933005
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)
InChIKeyVUHXHMGNBINEHD-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide (CID 2933005) is N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide is COc1ccc(CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is VUHXHMGNBINEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15).
What are the key properties of N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide?
N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 2933005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).