ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium

C17H19N2O3+ — CID 70550420

IUPACethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium
SMILESC/C=[N+](/c1ccc(OC(=O)NC)cc1C)c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-4-19(15-7-5-6-8-16(15)20)14-10-9-13(11-12(14)2)22-17(21)18-3/h4-11H,1-3H3,(H-,18,20,21)/p+1/b19-4-
InChIKeyUCRIULIHIJCXPC-PVOVUMCXSA-O
MW299.35 g/mol
LogP3.34
Rot. Bonds3

About ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium

ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium (PubChem CID 70550420) has the molecular formula C17H19N2O3+ and a molecular weight of 299.35 g/mol. Its IUPAC name is ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium.

Molecular Properties

Compound Nameethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium
PubChem CID70550420
Molecular FormulaC17H19N2O3+
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Nameethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium
SMILESC/C=[N+](/c1ccc(OC(=O)NC)cc1C)c1ccccc1O
InChIInChI=1S/C17H18N2O3/c1-4-19(15-7-5-6-8-16(15)20)14-10-9-13(11-12(14)2)22-17(21)18-3/h4-11H,1-3H3,(H-,18,20,21)/p+1/b19-4-
InChIKeyUCRIULIHIJCXPC-PVOVUMCXSA-O
XLogP3.34
TPSA61.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[4-(2,5-dimethylpyrrol-1-yl)-3-methylphenyl] N-methylcarbamate
CID 134111730
[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
CID 117060207
(4-hydroxy-3-methylphenyl) N-(2-chlorophenyl)carbamate
CID 3542576
(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
CID 70213575
[4-(4-hydroxybenzoyl)phenyl] N-methylcarbamate
CID 117058910
(3,5-dimethylphenyl) N-methylcarbamate
CID 17563
(3-methyl-4-nitrophenyl) N-(2-chloroethyl)carbamate
CID 18922296
[3-[[(E)-2-methylbut-2-enoyl]amino]phenyl] N-methylcarbamate
CID 6070588
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
CID 17521
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
(2,3,5-trimethylphenyl) N-methylcarbamate;(3,4,5-trimethylphenyl) N-methylcarbamate
CID 25549
(3,4-dimethylphenyl) N-ethenylcarbamate
CID 71409278

Frequently Asked Questions

What is the IUPAC name of ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium?
The IUPAC name of ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium (CID 70550420) is ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium.
What is the SMILES notation for ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium?
The canonical SMILES for ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium is C/C=[N+](/c1ccc(OC(=O)NC)cc1C)c1ccccc1O.
What is the InChIKey of ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium?
The InChIKey is UCRIULIHIJCXPC-PVOVUMCXSA-O. The full InChI is InChI=1S/C17H18N2O3/c1-4-19(15-7-5-6-8-16(15)20)14-10-9-13(11-12(14)2)22-17(21)18-3/h4-11H,1-3H3,(H-,18,20,21)/p+1/b19-4-.
What are the key properties of ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium?
ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium has a molecular weight of 299.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-(2-hydroxyphenyl)-[2-methyl-4-(methylcarbamoyloxy)phenyl]azanium is sourced from PubChem (CID 70550420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).