2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate

C25H23NO2 — CID 102321894

IUPAC2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate
SMILESC=C(C)COC(=O)C(/N=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO2/c1-20(2)19-28-24(27)25(22-14-8-4-9-15-22,23-16-10-5-11-17-23)26-18-21-12-6-3-7-13-21/h3-18H,1,19H2,2H3/b26-18+
InChIKeyFDULTCAGOCTTNY-NLRVBDNBSA-N
MW369.46 g/mol
LogP5.17
Rot. Bonds7

About 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate

2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate (PubChem CID 102321894) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate
PubChem CID102321894
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate
SMILESC=C(C)COC(=O)C(/N=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO2/c1-20(2)19-28-24(27)25(22-14-8-4-9-15-22,23-16-10-5-11-17-23)26-18-21-12-6-3-7-13-21/h3-18H,1,19H2,2H3/b26-18+
InChIKeyFDULTCAGOCTTNY-NLRVBDNBSA-N
XLogP5.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-amino-4-methyl-2-phenylpent-4-enoate;methyl 2-(benzylideneamino)-2-phenylacetate
CID 160887386
2-methylprop-2-enyl hydrogen carbonate;toluene
CID 70618978
3-(benzylideneamino)-3-methylbutan-2-ol
CID 130129023
1-(benzylideneamino)-1-phenylethanol
CID 154107002
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
prop-1-en-2-yl 2-(benzylideneamino)acetate
CID 89150054
propan-2-yl 2-(benzylideneamino)-2-methylpent-4-enoate
CID 11780229
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
2-methylprop-2-enyl (2S)-2-amino-3-phenylpropanoate
CID 139918621
methyl 2-benzyl-2-(benzylideneamino)pent-4-enoate
CID 18722156
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate?
The IUPAC name of 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate (CID 102321894) is 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate.
What is the SMILES notation for 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate?
The canonical SMILES for 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate is C=C(C)COC(=O)C(/N=C/c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate?
The InChIKey is FDULTCAGOCTTNY-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H23NO2/c1-20(2)19-28-24(27)25(22-14-8-4-9-15-22,23-16-10-5-11-17-23)26-18-21-12-6-3-7-13-21/h3-18H,1,19H2,2H3/b26-18+.
What are the key properties of 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate?
2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate has a molecular weight of 369.46 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 2-(benzylideneamino)-2,2-diphenylacetate is sourced from PubChem (CID 102321894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).