[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate

C22H20N2O3 — CID 75034418

IUPAC[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON=C(C)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(18-9-6-10-19(15-18)17-7-4-3-5-8-17)24-27-22(25)23-20-11-13-21(26-2)14-12-20/h3-15H,1-2H3,(H,23,25)
InChIKeyDGBPTKDQIVTVSX-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.33
Rot. Bonds5

About [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate

[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate (PubChem CID 75034418) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
PubChem CID75034418
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)ON=C(C)c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(18-9-6-10-19(15-18)17-7-4-3-5-8-17)24-27-22(25)23-20-11-13-21(26-2)14-12-20/h3-15H,1-2H3,(H,23,25)
InChIKeyDGBPTKDQIVTVSX-UHFFFAOYSA-N
XLogP5.33
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
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

[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
[(Z)-benzylideneamino] N-(4-methoxyphenyl)carbamate
CID 5406978
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
CID 748240
[(E)-[1-(4-methoxyphenyl)-1-oxopropan-2-ylidene]amino] N-(3-chlorophenyl)carbamate
CID 6949721
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912

Frequently Asked Questions

What is the IUPAC name of [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate (CID 75034418) is [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)ON=C(C)c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate?
The InChIKey is DGBPTKDQIVTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(18-9-6-10-19(15-18)17-7-4-3-5-8-17)24-27-22(25)23-20-11-13-21(26-2)14-12-20/h3-15H,1-2H3,(H,23,25).
What are the key properties of [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate?
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate has a molecular weight of 360.41 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 75034418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).