(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide

C14H19NO2 — CID 7369786

IUPAC(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCO1)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-3-15(12-8-5-4-7-11(12)2)14(16)13-9-6-10-17-13/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyUDATYNCUFLSCOZ-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.53
Rot. Bonds3

About (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide

(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide (PubChem CID 7369786) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide
PubChem CID7369786
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide
SMILESCCN(C(=O)[C@@H]1CCCO1)c1ccccc1C
InChIInChI=1S/C14H19NO2/c1-3-15(12-8-5-4-7-11(12)2)14(16)13-9-6-10-17-13/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyUDATYNCUFLSCOZ-ZDUSSCGKSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide (CID 7369786) is (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide is CCN(C(=O)[C@@H]1CCCO1)c1ccccc1C.
What is the InChIKey of (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide?
The InChIKey is UDATYNCUFLSCOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-15(12-8-5-4-7-11(12)2)14(16)13-9-6-10-17-13/h4-5,7-8,13H,3,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide?
(2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(2-methylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 7369786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).