N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide

C14H19NO3 — CID 6469041

IUPACN-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCCO2)c1
InChIInChI=1S/C14H19NO3/c1-10(11-5-3-6-12(9-11)17-2)15-14(16)13-7-4-8-18-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyHISIBKDWWABLJR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide

N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 6469041) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
PubChem CID6469041
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCCO2)c1
InChIInChI=1S/C14H19NO3/c1-10(11-5-3-6-12(9-11)17-2)15-14(16)13-7-4-8-18-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,15,16)
InChIKeyHISIBKDWWABLJR-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide (CID 6469041) is N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide is COc1cccc(C(C)NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is HISIBKDWWABLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-5-3-6-12(9-11)17-2)15-14(16)13-7-4-8-18-13/h3,5-6,9-10,13H,4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide?
N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 6469041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).