methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate

C19H23N3O5 — CID 129248980

IUPACmethyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(O/N=C(\C)c2ccc(OC)nc2OC)ccc1C
InChIInChI=1S/C19H23N3O5/c1-12-6-7-15(10-14(12)11-20-19(23)26-5)27-22-13(2)16-8-9-17(24-3)21-18(16)25-4/h6-10H,11H2,1-5H3,(H,20,23)/b22-13+
InChIKeySCJADWXUFPCSJP-LPYMAVHISA-N
MW373.41 g/mol
LogP3.07
Rot. Bonds7

About methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate

methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate (PubChem CID 129248980) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
PubChem CID129248980
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(O/N=C(\C)c2ccc(OC)nc2OC)ccc1C
InChIInChI=1S/C19H23N3O5/c1-12-6-7-15(10-14(12)11-20-19(23)26-5)27-22-13(2)16-8-9-17(24-3)21-18(16)25-4/h6-10H,11H2,1-5H3,(H,20,23)/b22-13+
InChIKeySCJADWXUFPCSJP-LPYMAVHISA-N
XLogP3.07
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl N-[[5-[(E)-1-(2-methoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate
CID 129248951
2-(2-aminoethoxy)-N-[(2,5-dimethylphenyl)methyl]-4-methoxybenzamide
CID 118767250
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
methyl N-[(5-cyano-2-methylphenyl)methyl]carbamate
CID 90111724
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
methyl N-[[5-[2-[2,6-difluoro-4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]triazol-4-yl]-2-methylphenyl]methyl]carbamate
CID 166525615
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995

Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The IUPAC name of methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate (CID 129248980) is methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The canonical SMILES for methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate is COC(=O)NCc1cc(O/N=C(\C)c2ccc(OC)nc2OC)ccc1C.
What is the InChIKey of methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
The InChIKey is SCJADWXUFPCSJP-LPYMAVHISA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12-6-7-15(10-14(12)11-20-19(23)26-5)27-22-13(2)16-8-9-17(24-3)21-18(16)25-4/h6-10H,11H2,1-5H3,(H,20,23)/b22-13+.
What are the key properties of methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate?
methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-[(E)-1-(2,6-dimethoxy-3-pyridinyl)ethylideneamino]oxy-2-methylphenyl]methyl]carbamate is sourced from PubChem (CID 129248980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).