[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate

C22H20N2O3 — CID 135698998

IUPAC[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate
SMILESCc1ccc(/C(Cc2ccccc2)=N/OC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C22H20N2O3/c1-16-12-13-19(21(25)14-16)20(15-17-8-4-2-5-9-17)24-27-22(26)23-18-10-6-3-7-11-18/h2-14,25H,15H2,1H3,(H,23,26)/b24-20+
InChIKeyZCPIQDIEKZEEPT-HIXSDJFHSA-N
MW360.41 g/mol
LogP4.90
Rot. Bonds5

About [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate

[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate (PubChem CID 135698998) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate.

Molecular Properties

Compound Name[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate
PubChem CID135698998
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate
SMILESCc1ccc(/C(Cc2ccccc2)=N/OC(=O)Nc2ccccc2)c(O)c1
InChIInChI=1S/C22H20N2O3/c1-16-12-13-19(21(25)14-16)20(15-17-8-4-2-5-9-17)24-27-22(26)23-18-10-6-3-7-11-18/h2-14,25H,15H2,1H3,(H,23,26)/b24-20+
InChIKeyZCPIQDIEKZEEPT-HIXSDJFHSA-N
XLogP4.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.90
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

[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
2-[(Z)-N-anilino-C-[(11Z)-11-(2-hydroxy-4-methylphenyl)-11-(phenylhydrazinylidene)undecyl]carbonimidoyl]-5-methylphenol
CID 136886923
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 3353937
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 9495603
O-[1-(2-hydroxy-5-methylphenyl)dodecylideneamino] N-phenylcarbamothioate
CID 4557682
[1-(benzylamino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 42969454
[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate
CID 177405646
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate?
The IUPAC name of [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate (CID 135698998) is [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate.
What is the SMILES notation for [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate?
The canonical SMILES for [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate is Cc1ccc(/C(Cc2ccccc2)=N/OC(=O)Nc2ccccc2)c(O)c1.
What is the InChIKey of [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate?
The InChIKey is ZCPIQDIEKZEEPT-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-12-13-19(21(25)14-16)20(15-17-8-4-2-5-9-17)24-27-22(26)23-18-10-6-3-7-11-18/h2-14,25H,15H2,1H3,(H,23,26)/b24-20+.
What are the key properties of [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate?
[(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate has a molecular weight of 360.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(2-hydroxy-4-methylphenyl)-2-phenylethylidene]amino] N-phenylcarbamate is sourced from PubChem (CID 135698998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).