[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone

C25H25NO2 — CID 101131366

IUPAC[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone
SMILESCN(C)CCO/C=C(\c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26(2)17-18-28-19-24(20-9-5-3-6-10-20)21-13-15-23(16-14-21)25(27)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/b24-19+
InChIKeyRDQQUHULTCWSDX-LYBHJNIJSA-N
MW371.48 g/mol
LogP4.89
Rot. Bonds8

About [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone

[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone (PubChem CID 101131366) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone
PubChem CID101131366
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone
SMILESCN(C)CCO/C=C(\c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H25NO2/c1-26(2)17-18-28-19-24(20-9-5-3-6-10-20)21-13-15-23(16-14-21)25(27)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/b24-19+
InChIKeyRDQQUHULTCWSDX-LYBHJNIJSA-N
XLogP4.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Morpholin-4-yl-1-(4-phenylphenyl)propan-1-one;hydrochloride
CID 134103594
1-(4-Hexylphenyl)-3-(morpholin-4-yl)propan-1-one
CID 23635362
Ammonium, (p-terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((2-(ethoxy)ethyl)dimethyl-, dibromide
CID 3055968
4-benzoyl-N-benzyl-N-(2-methoxyethyl)benzamide
CID 4882426
(E)-3-morpholin-4-yl-1-(4-phenylphenyl)prop-2-en-1-one
CID 5310739
1-(4-Methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 420859
1-[4-[(E)-2-[2-(dimethylamino)ethoxy]ethenyl]phenyl]ethanone
CID 14939601
1-[4-[(E)-(2-tert-butyl-4H-1,3-oxazol-5-ylidene)-phenylmethyl]phenyl]ethanone
CID 134851611
2-(4-Methylmorpholin-4-ium-4-yl)-1-(4-phenylphenyl)ethanone
CID 53315220
3-Morpholin-4-yl-1-(4-phenylphenyl)propan-1-one
CID 2797791
2-(4-Phenethylmorpholin-4-ium-4-yl)-1-(4-phenylphenyl)ethanone
CID 411766
1-(4-Isobutylphenyl)-5-morpholino-pentan-1-one
CID 49772897

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone?
The IUPAC name of [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone (CID 101131366) is [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone is CN(C)CCO/C=C(\c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone?
The InChIKey is RDQQUHULTCWSDX-LYBHJNIJSA-N. The full InChI is InChI=1S/C25H25NO2/c1-26(2)17-18-28-19-24(20-9-5-3-6-10-20)21-13-15-23(16-14-21)25(27)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3/b24-19+.
What are the key properties of [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone?
[4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone has a molecular weight of 371.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[2-(dimethylamino)ethoxy]-1-phenylethenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 101131366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).