1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone

C18H19NO2 — CID 158941180

IUPAC1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone
SMILESO=C(C/N=C/CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(17-10-5-2-6-11-17)14-19-12-7-13-21-15-16-8-3-1-4-9-16/h1-6,8-12H,7,13-15H2/b19-12+
InChIKeyJKGOCTWJJFDFFM-XDHOZWIPSA-N
MW281.36 g/mol
LogP3.55
Rot. Bonds8

About 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone

1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone (PubChem CID 158941180) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone
PubChem CID158941180
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone
SMILESO=C(C/N=C/CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(17-10-5-2-6-11-17)14-19-12-7-13-21-15-16-8-3-1-4-9-16/h1-6,8-12H,7,13-15H2/b19-12+
InChIKeyJKGOCTWJJFDFFM-XDHOZWIPSA-N
XLogP3.55
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(4-fluorophenyl)methanone
CID 67663978
(2-Fluorophenyl)-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanone
CID 69034844
(2E)-1-phenyl-2-phenylmethoxyiminoethanone
CID 12745727
trans-4-Benzoyl-2,5-diphenyl oxazoline
CID 129855473
[(R)-phenyl(2,3,4,5-tetrahydropyridin-6-yl)methyl] benzoate
CID 134830796
prop-2-enyl N-benzoylbenzenecarboximidate
CID 134884049
4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]benzaldehyde
CID 134961819
(5E)-4-methyl-1-phenyl-5-phenylmethoxyiminopentan-1-one
CID 134997848
Ethyl 4-(benzyliminomethyl)benzoate
CID 135076017
N-(2-phenylmethoxyethylidene)benzamide
CID 135079376
1-[4-[1-[(5S)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]ethenyl]phenyl]ethanone
CID 139191028
[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-phenylmethanone
CID 139221412

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone?
The IUPAC name of 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone (CID 158941180) is 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone.
What is the SMILES notation for 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone?
The canonical SMILES for 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone is O=C(C/N=C/CCOCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone?
The InChIKey is JKGOCTWJJFDFFM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(17-10-5-2-6-11-17)14-19-12-7-13-21-15-16-8-3-1-4-9-16/h1-6,8-12H,7,13-15H2/b19-12+.
What are the key properties of 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone?
1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenylmethoxypropylideneamino)ethanone is sourced from PubChem (CID 158941180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).