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

C21H26N2O3 — CID 30308724

IUPAC2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,26-19-6-4-3-5-7-19)20(24)22-18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyFMLJUMGGFDIPRO-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds6

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

2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide (PubChem CID 30308724) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
PubChem CID30308724
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,26-19-6-4-3-5-7-19)20(24)22-18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h3-11H,12-16H2,1-2H3,(H,22,24)
InChIKeyFMLJUMGGFDIPRO-UHFFFAOYSA-N
XLogP3.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide?
The IUPAC name of 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide (CID 30308724) is 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide?
The InChIKey is FMLJUMGGFDIPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,26-19-6-4-3-5-7-19)20(24)22-18-10-8-17(9-11-18)16-23-12-14-25-15-13-23/h3-11H,12-16H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide?
2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide has a molecular weight of 354.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 30308724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).