2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate

C30H25NO2 — CID 101401205

IUPAC2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESC=C(COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25NO2/c1-23(24-14-6-2-7-15-24)22-33-30(32)29(27-20-12-5-13-21-27)31-28(25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,29H,1,22H2
InChIKeyCHCSPHRWIHJRRF-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.52
Rot. Bonds8

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

2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate (PubChem CID 101401205) has the molecular formula C30H25NO2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate.

Molecular Properties

Compound Name2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
PubChem CID101401205
Molecular FormulaC30H25NO2
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Name2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
SMILESC=C(COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H25NO2/c1-23(24-14-6-2-7-15-24)22-33-30(32)29(27-20-12-5-13-21-27)31-28(25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,29H,1,22H2
InChIKeyCHCSPHRWIHJRRF-UHFFFAOYSA-N
XLogP6.52
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate
CID 101401204
ethyl (2R)-2-(benzhydrylideneamino)-2-pyrimidin-5-ylacetate
CID 125495060
ethyl (2S)-2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 125482183
ethyl 2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 118318070
ethyl 2-(benzhydrylideneamino)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]acetate
CID 121361722
2-methylprop-2-enyl 2,2-diphenylacetate
CID 135086240
ethyl (2S,3R)-2-(benzhydrylideneamino)-3-phenylpent-4-enoate
CID 25137573
phenacyl 2,2-diphenylacetate
CID 597416
(3R,4R)-4-(benzhydrylideneamino)-1,3,4-triphenylbutan-1-one
CID 27153365
1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102223669
tert-butyl (2S)-2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11360059
tert-butyl 2-(benzhydrylideneamino)-4-methylpent-4-enoate
CID 11725386

Frequently Asked Questions

What is the IUPAC name of 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The IUPAC name of 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate (CID 101401205) is 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate.
What is the SMILES notation for 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The canonical SMILES for 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate is C=C(COC(=O)C(N=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
The InChIKey is CHCSPHRWIHJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO2/c1-23(24-14-6-2-7-15-24)22-33-30(32)29(27-20-12-5-13-21-27)31-28(25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,29H,1,22H2.
What are the key properties of 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate?
2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate has a molecular weight of 431.54 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylprop-2-enyl 2-(benzhydrylideneamino)-2-phenylacetate is sourced from PubChem (CID 101401205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).