methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate

C23H22N2O3 — CID 101385943

IUPACmethyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/Nc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-27-23(26)22(25-24-20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)28-17-19-8-4-2-5-9-19/h2-15,24H,16-17H2,1H3/b25-22+
InChIKeyKMYWBRSAEDAFIE-YYDJUVGSSA-N
MW374.44 g/mol
LogP4.45
Rot. Bonds8

About methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate

methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 101385943) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID101385943
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Namemethyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/Nc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-27-23(26)22(25-24-20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)28-17-19-8-4-2-5-9-19/h2-15,24H,16-17H2,1H3/b25-22+
InChIKeyKMYWBRSAEDAFIE-YYDJUVGSSA-N
XLogP4.45
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
(2Z)-N-(2-chloroethyl)-2-hydroxyimino-3-(4-phenylmethoxyphenyl)propanamide
CID 118733304
N-methyl-4-phenylmethoxybenzamide
CID 2996745
3-oxo-4-(4-phenylmethoxyphenyl)butanoic acid
CID 143233810
propan-2-yl 2-(4-phenylmethoxyphenyl)acetate
CID 82550165
2-oxo-3-(4-phenylmethoxyphenyl)propanoic acid
CID 563772
dimethyl 2-[(4-phenylmethoxyanilino)methylidene]propanedioate
CID 140877905
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
N,N-dimethyl-2-(4-phenylmethoxyphenyl)acetamide;ethane
CID 143396477
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate (CID 101385943) is methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/Nc1ccccc1.
What is the InChIKey of methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is KMYWBRSAEDAFIE-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-23(26)22(25-24-20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)28-17-19-8-4-2-5-9-19/h2-15,24H,16-17H2,1H3/b25-22+.
What are the key properties of methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate?
methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 374.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(phenylhydrazinylidene)-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 101385943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).