2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C21H26N2O2 — CID 27887322

IUPAC2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-6-8-18(9-7-17)14-21(24)22-15-19-4-2-3-5-20(19)16-23-10-12-25-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyAWAZGQLHRWSXNN-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.69
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 27887322) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID27887322
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-6-8-18(9-7-17)14-21(24)22-15-19-4-2-3-5-20(19)16-23-10-12-25-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)
InChIKeyAWAZGQLHRWSXNN-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 27887322) is 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is AWAZGQLHRWSXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-6-8-18(9-7-17)14-21(24)22-15-19-4-2-3-5-20(19)16-23-10-12-25-13-11-23/h2-9H,10-16H2,1H3,(H,22,24).
What are the key properties of 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 27887322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).