2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone

C23H21NO2 — CID 139818881

IUPAC2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
SMILESCC(/N=C/C(=O)c1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-18(20-12-6-3-7-13-20)24-16-22(25)21-14-8-9-15-23(21)26-17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3/b24-16+
InChIKeyKTJPUHXURFZDIL-LFVJCYFKSA-N
MW343.43 g/mol
LogP5.28
Rot. Bonds7

About 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone

2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone (PubChem CID 139818881) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
PubChem CID139818881
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone
SMILESCC(/N=C/C(=O)c1ccccc1OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-18(20-12-6-3-7-13-20)24-16-22(25)21-14-8-9-15-23(21)26-17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3/b24-16+
InChIKeyKTJPUHXURFZDIL-LFVJCYFKSA-N
XLogP5.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-2-phenylmethoxybenzamide
CID 54785183
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
2-phenylmethoxybenzoyl chloride
CID 10999355
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 151856282
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
3-methoxy-2-(2-phenylmethoxyphenyl)prop-2-enoic acid
CID 54476802
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
(E)-3-cyclopenta-1,3-dien-1-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 6139864

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone?
The IUPAC name of 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone (CID 139818881) is 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone is CC(/N=C/C(=O)c1ccccc1OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone?
The InChIKey is KTJPUHXURFZDIL-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H21NO2/c1-18(20-12-6-3-7-13-20)24-16-22(25)21-14-8-9-15-23(21)26-17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3/b24-16+.
What are the key properties of 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone?
2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone has a molecular weight of 343.43 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylimino)-1-(2-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 139818881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).