2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

C14H19NO3 — CID 2885117

IUPAC2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-11-5-2-3-7-13(11)18-10-14(16)15-9-12-6-4-8-17-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16)
InChIKeySUDKILXAJJXUQS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds5

About 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2885117) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2885117
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccccc1OCC(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-11-5-2-3-7-13(11)18-10-14(16)15-9-12-6-4-8-17-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16)
InChIKeySUDKILXAJJXUQS-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 2885117) is 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccccc1OCC(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SUDKILXAJJXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-5-2-3-7-13(11)18-10-14(16)15-9-12-6-4-8-17-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2885117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).