tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate

C17H26N2O4 — CID 9074564

IUPACtert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
SMILESCCOc1ccc(/C(C)=N\NC(=O)OC(C)(C)C)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-7-21-14-10-9-13(11-15(14)22-8-2)12(3)18-19-16(20)23-17(4,5)6/h9-11H,7-8H2,1-6H3,(H,19,20)/b18-12-
InChIKeyFRWQNYJCVOTTKW-PDGQHHTCSA-N
MW322.41 g/mol
LogP3.73
Rot. Bonds6

About tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate

tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate (PubChem CID 9074564) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
PubChem CID9074564
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
SMILESCCOc1ccc(/C(C)=N\NC(=O)OC(C)(C)C)cc1OCC
InChIInChI=1S/C17H26N2O4/c1-7-21-14-10-9-13(11-15(14)22-8-2)12(3)18-19-16(20)23-17(4,5)6/h9-11H,7-8H2,1-6H3,(H,19,20)/b18-12-
InChIKeyFRWQNYJCVOTTKW-PDGQHHTCSA-N
XLogP3.73
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(3-bromophenyl)ethylideneamino]carbamate
CID 4239815
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
tert-butyl N-[2-(3,4-diethoxyphenyl)-2-hydroxyiminoethyl]carbamate
CID 131632770
N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170959
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]carbamate
CID 2439383
[2-ethoxy-4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 3730694
ethyl N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]carbamate
CID 6015437
bis(3,4-diethoxyphenyl)methanone
CID 135325793
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
tert-butyl N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]carbamate
CID 9074515

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate (CID 9074564) is tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate is CCOc1ccc(/C(C)=N\NC(=O)OC(C)(C)C)cc1OCC.
What is the InChIKey of tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate?
The InChIKey is FRWQNYJCVOTTKW-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-7-21-14-10-9-13(11-15(14)22-8-2)12(3)18-19-16(20)23-17(4,5)6/h9-11H,7-8H2,1-6H3,(H,19,20)/b18-12-.
What are the key properties of tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate?
tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate is sourced from PubChem (CID 9074564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).