2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C20H22N2O4 — CID 1339945

IUPAC2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O4/c1-15-5-4-6-16(13-15)26-14-19(23)21-18-8-3-2-7-17(18)20(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyIGBUFJMEZYAQMM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.48
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 1339945) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID1339945
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H22N2O4/c1-15-5-4-6-16(13-15)26-14-19(23)21-18-8-3-2-7-17(18)20(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23)
InChIKeyIGBUFJMEZYAQMM-UHFFFAOYSA-N
XLogP2.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 1339945) is 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is IGBUFJMEZYAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-5-4-6-16(13-15)26-14-19(23)21-18-8-3-2-7-17(18)20(24)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1339945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).