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

C14H19NO3 — CID 2865692

IUPAC2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1CC(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-13-7-3-2-5-11(13)9-14(16)15-10-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16)
InChIKeyHKLYRDHFRWAMNY-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2865692) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2865692
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccccc1CC(=O)NCC1CCCO1
InChIInChI=1S/C14H19NO3/c1-17-13-7-3-2-5-11(13)9-14(16)15-10-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16)
InChIKeyHKLYRDHFRWAMNY-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 2865692) is 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is COc1ccccc1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is HKLYRDHFRWAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-13-7-3-2-5-11(13)9-14(16)15-10-12-6-4-8-18-12/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide 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 2-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2865692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).