N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide

C14H19NO3 — CID 2970818

IUPACN-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-12-6-3-2-5-11(12)8-9-15-14(16)13-7-4-10-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeyRABLHHNBOFMBRF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 2970818) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide
PubChem CID2970818
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-12-6-3-2-5-11(12)8-9-15-14(16)13-7-4-10-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16)
InChIKeyRABLHHNBOFMBRF-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide (CID 2970818) is N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide is COc1ccccc1CCNC(=O)C1CCCO1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is RABLHHNBOFMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-6-3-2-5-11(12)8-9-15-14(16)13-7-4-10-18-13/h2-3,5-6,13H,4,7-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 2970818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).