2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate

C25H23NO2 — CID 101401204

IUPAC2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESC=C(C)COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO2/c1-19(2)18-28-25(27)24(22-16-10-5-11-17-22)26-23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,1,18H2,2H3
InChIKeyYVCOGPKBFCFRRH-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.38
Rot. Bonds7

About 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate

2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate (PubChem CID 101401204) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
PubChem CID101401204
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESC=C(C)COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO2/c1-19(2)18-28-25(27)24(22-16-10-5-11-17-22)26-23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,1,18H2,2H3
InChIKeyYVCOGPKBFCFRRH-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
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'}

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Related Compounds

2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
CID 101401205
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
ethyl (2R)-2-(benzhydrylideneamino)-2-pyrimidin-5-ylacetate
CID 125495060
2-methylprop-2-enyl (2S)-2-amino-3-phenylpropanoate
CID 139918621
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059
tert-butyl 2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11725386
ethyl 2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 118318070
ethyl (2S)-2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 125482183
ethyl 2-(benzhydrylideneamino)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]acetate
CID 121361722
2-methylprop-2-enyl hydrogen carbonate;toluene
CID 70618978
ethyl (2S,3R)-2-(benzhydrylideneamino)-3-phenylpent-4-enoate
CID 25137573
[2-(2-methylprop-2-enylperoxy)-2-phenylethyl] 2-methylprop-2-enoate
CID 89014344

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The IUPAC name of 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate (CID 101401204) is 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate.
What is the SMILES notation for 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The canonical SMILES for 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate is C=C(C)COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The InChIKey is YVCOGPKBFCFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-19(2)18-28-25(27)24(22-16-10-5-11-17-22)26-23(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,24H,1,18H2,2H3.
What are the key properties of 2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate has a molecular weight of 369.46 g/mol, XLogP of 5.38, 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-(benzhydrylideneamino)-2-phenylacetate is sourced from PubChem (CID 101401204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).