[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate

C20H24N2O3 — CID 134847227

IUPAC[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O/N=C(\C)c1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-5-22(6-2)20(23)25-21-15(3)18-9-7-8-10-19(18)16-11-13-17(24-4)14-12-16/h7-14H,5-6H2,1-4H3/b21-15+
InChIKeyQESHNCWHNMRUCO-RCCKNPSSSA-N
MW340.42 g/mol
LogP4.56
Rot. Bonds6

About [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate

[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate (PubChem CID 134847227) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate
PubChem CID134847227
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O/N=C(\C)c1ccccc1-c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-5-22(6-2)20(23)25-21-15(3)18-9-7-8-10-19(18)16-11-13-17(24-4)14-12-16/h7-14H,5-6H2,1-4H3/b21-15+
InChIKeyQESHNCWHNMRUCO-RCCKNPSSSA-N
XLogP4.56
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
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

1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 4-(1-methylethyl)phenyl ester
CID 9588811
1,2-bis(4-methoxyphenyl)ethanone O-acetyloxime
CID 5410067
(1E)-1,2-bis(4-methoxyphenyl)ethanone oxime
CID 5402606
methyl (NZ)-N-[1,2-bis(4-methoxyphenyl)ethylidene]carbamate
CID 6174694
1-Pyrroline, 2,3-bis(p-methoxyphenyl)-
CID 201293
[2-(4-Methoxyphenyl)cyclopropyl](phenyl)methanone oxime
CID 9635996
N-methoxy-1-(4-methoxyphenyl)-2-phenylethanimine
CID 57402348
Acetamide, N,N-diethyl-2-(4-((hydroxyimino)phenylmethyl)phenoxy)-
CID 9554236
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 4-(1,1,3,3-tetramethylbutyl)phenyl ester, (E)-
CID 9588812
Benzophenone, 4,4'-dimethoxy-, O-methyloxime
CID 140515
3-(P-Methoxyphenyl)propiophenone, oxime
CID 9560995
[1-(6-methoxynaphthalen-2-yl)ethylideneamino] N-butylcarbamate
CID 2740851

Frequently Asked Questions

What is the IUPAC name of [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate?
The IUPAC name of [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate (CID 134847227) is [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate.
What is the SMILES notation for [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate?
The canonical SMILES for [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate is CCN(CC)C(=O)O/N=C(\C)c1ccccc1-c1ccc(OC)cc1.
What is the InChIKey of [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate?
The InChIKey is QESHNCWHNMRUCO-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-5-22(6-2)20(23)25-21-15(3)18-9-7-8-10-19(18)16-11-13-17(24-4)14-12-16/h7-14H,5-6H2,1-4H3/b21-15+.
What are the key properties of [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate?
[(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate has a molecular weight of 340.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-[2-(4-methoxyphenyl)phenyl]ethylideneamino] N,N-diethylcarbamate is sourced from PubChem (CID 134847227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).