[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate

C20H23N3O4 — CID 54302487

IUPAC[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
SMILESCOC(=O)N(OC)c1ccccc1COC(C)=NN=C(C)c1ccccc1
InChIInChI=1S/C20H23N3O4/c1-15(17-10-6-5-7-11-17)21-22-16(2)27-14-18-12-8-9-13-19(18)23(26-4)20(24)25-3/h5-13H,14H2,1-4H3
InChIKeySFFJWRQOGHZBCP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.18
Rot. Bonds6

About [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate

[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate (PubChem CID 54302487) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate.

Molecular Properties

Compound Name[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
PubChem CID54302487
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate
SMILESCOC(=O)N(OC)c1ccccc1COC(C)=NN=C(C)c1ccccc1
InChIInChI=1S/C20H23N3O4/c1-15(17-10-6-5-7-11-17)21-22-16(2)27-14-18-12-8-9-13-19(18)23(26-4)20(24)25-3/h5-13H,14H2,1-4H3
InChIKeySFFJWRQOGHZBCP-UHFFFAOYSA-N
XLogP4.18
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
CID 20667532
CID 20667532
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
methyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 10891056
methyl N-[2-[[1-(1H-inden-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 141106557
methyl N-[2-[[(E)-1-(5-fluoro-1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 172964281
methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
ethyl N-[2-(bromomethyl)phenyl]-N-methoxycarbamate
CID 141060138
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
CID 20667514
methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667670
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843

Frequently Asked Questions

What is the IUPAC name of [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate?
The IUPAC name of [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate (CID 54302487) is [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate.
What is the SMILES notation for [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate?
The canonical SMILES for [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate is COC(=O)N(OC)c1ccccc1COC(C)=NN=C(C)c1ccccc1.
What is the InChIKey of [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate?
The InChIKey is SFFJWRQOGHZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-15(17-10-6-5-7-11-17)21-22-16(2)27-14-18-12-8-9-13-19(18)23(26-4)20(24)25-3/h5-13H,14H2,1-4H3.
What are the key properties of [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate?
[2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate has a molecular weight of 369.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methoxy(methoxycarbonyl)amino]phenyl]methyl N-(1-phenylethylidene)ethanehydrazonate is sourced from PubChem (CID 54302487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).