1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone

C19H22N2O3 — CID 54828242

IUPAC1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
SMILESO=C(CNc1ccccc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-19(21-10-12-23-13-11-21)14-20-17-8-4-5-9-18(17)24-15-16-6-2-1-3-7-16/h1-9,20H,10-15H2
InChIKeyWWALZXZEYRFASH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.54
Rot. Bonds6

About 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone

1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone (PubChem CID 54828242) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
PubChem CID54828242
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
SMILESO=C(CNc1ccccc1OCc1ccccc1)N1CCOCC1
InChIInChI=1S/C19H22N2O3/c22-19(21-10-12-23-13-11-21)14-20-17-8-4-5-9-18(17)24-15-16-6-2-1-3-7-16/h1-9,20H,10-15H2
InChIKeyWWALZXZEYRFASH-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone (CID 54828242) is 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone is O=C(CNc1ccccc1OCc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone?
The InChIKey is WWALZXZEYRFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(21-10-12-23-13-11-21)14-20-17-8-4-5-9-18(17)24-15-16-6-2-1-3-7-16/h1-9,20H,10-15H2.
What are the key properties of 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone?
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone has a molecular weight of 326.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone is sourced from PubChem (CID 54828242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).