(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate

C26H23NO2 — CID 87824963

IUPAC(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate
SMILESO=C(ON=C(c1ccccc1)c1ccccc1)C(=C1CCCC1)c1ccccc1
InChIInChI=1S/C26H23NO2/c28-26(24(21-14-10-11-15-21)20-12-4-1-5-13-20)29-27-25(22-16-6-2-7-17-22)23-18-8-3-9-19-23/h1-9,12-13,16-19H,10-11,14-15H2
InChIKeyRLEMNBJRXZUOLU-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.01
Rot. Bonds5

About (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate

(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate (PubChem CID 87824963) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate.

Molecular Properties

Compound Name(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate
PubChem CID87824963
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate
SMILESO=C(ON=C(c1ccccc1)c1ccccc1)C(=C1CCCC1)c1ccccc1
InChIInChI=1S/C26H23NO2/c28-26(24(21-14-10-11-15-21)20-12-4-1-5-13-20)29-27-25(22-16-6-2-7-17-22)23-18-8-3-9-19-23/h1-9,12-13,16-19H,10-11,14-15H2
InChIKeyRLEMNBJRXZUOLU-UHFFFAOYSA-N
XLogP6.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(benzhydrylideneamino) hydrogen carbonate
CID 91323284
[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
CID 5021428
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
2-cyclohexylidene-2-(4-methylphenyl)acetic acid
CID 122373960
2-cycloheptylidene-2-iodo-1-phenylethanone
CID 71476218
(benzhydrylideneamino) 2-[4-(methoxymethyl)phenyl]butanoate
CID 91477578
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
benzoic acid;ethene
CID 160765727
N-(cyclododecylideneamino)benzamide
CID 4147051
2-benzoylcyclotridecan-1-one
CID 101422484

Frequently Asked Questions

What is the IUPAC name of (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate?
The IUPAC name of (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate (CID 87824963) is (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate.
What is the SMILES notation for (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate?
The canonical SMILES for (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate is O=C(ON=C(c1ccccc1)c1ccccc1)C(=C1CCCC1)c1ccccc1.
What is the InChIKey of (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate?
The InChIKey is RLEMNBJRXZUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c28-26(24(21-14-10-11-15-21)20-12-4-1-5-13-20)29-27-25(22-16-6-2-7-17-22)23-18-8-3-9-19-23/h1-9,12-13,16-19H,10-11,14-15H2.
What are the key properties of (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate?
(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate has a molecular weight of 381.48 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate is sourced from PubChem (CID 87824963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).