2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C14H19NO2 — CID 965692

IUPAC2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyGNNODMPIMQHVQL-ZDUSSCGKSA-N
MW233.31 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 965692) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID965692
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyGNNODMPIMQHVQL-ZDUSSCGKSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 965692) is 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1ccc(CC(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GNNODMPIMQHVQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-6-12(7-5-11)9-14(16)15-10-13-3-2-8-17-13/h4-7,13H,2-3,8-10H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 965692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).