[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate

C21H18N2O3 — CID 6371713

IUPAC[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-26-21(25)22-18-14-8-3-9-15-18/h1-15,20,24H,(H,22,25)/b23-19+
InChIKeyOGKLGPZFFQIRHC-FCDQGJHFSA-N
MW346.39 g/mol
LogP4.37
Rot. Bonds5

About [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate

[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate (PubChem CID 6371713) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
PubChem CID6371713
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O/N=C(\c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C21H18N2O3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-26-21(25)22-18-14-8-3-9-15-18/h1-15,20,24H,(H,22,25)/b23-19+
InChIKeyOGKLGPZFFQIRHC-FCDQGJHFSA-N
XLogP4.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

(2Z)-2-methoxyimino-1,2-diphenylethanol
CID 10922703
N,N'-bis[(E)-(2-hydroxy-1,2-diphenylethylidene)amino]oxamide
CID 132833444
(1R,2Z)-2-[(E)-[(2S)-2-hydroxy-1,2-diphenylethylidene]hydrazinylidene]-1,2-diphenylethanol
CID 7340294
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
[(Z)-1,2,2-triphenylethylideneamino] acetate
CID 53467016
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate
CID 4279498
[(E)-[2-methyl-1-(3-phenylsulfanylphenyl)propylidene]amino] N-pyridin-4-ylcarbamate
CID 172945275
2-hydroxy-1,2-diphenylethanone
CID 159399559
phenylcarbamoyl benzenecarboximidate
CID 142010555
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate?
The IUPAC name of [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate (CID 6371713) is [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate.
What is the SMILES notation for [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate?
The canonical SMILES for [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate is O=C(Nc1ccccc1)O/N=C(\c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate?
The InChIKey is OGKLGPZFFQIRHC-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)23-26-21(25)22-18-14-8-3-9-15-18/h1-15,20,24H,(H,22,25)/b23-19+.
What are the key properties of [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate?
[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate has a molecular weight of 346.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate is sourced from PubChem (CID 6371713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).