N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide

C15H19N3O5 — CID 8826202

IUPACN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CC2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C15H19N3O5/c1-21-11-5-9(7-17-18-15(20)10-3-4-10)6-12(22-2)14(11)23-8-13(16)19/h5-7,10H,3-4,8H2,1-2H3,(H2,16,19)(H,18,20)/b17-7-
InChIKeyVUUJZLJCQYSBLC-IDUWFGFVSA-N
MW321.33 g/mol
LogP0.43
Rot. Bonds8

About N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide

N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide (PubChem CID 8826202) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
PubChem CID8826202
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
SMILESCOc1cc(/C=N\NC(=O)C2CC2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C15H19N3O5/c1-21-11-5-9(7-17-18-15(20)10-3-4-10)6-12(22-2)14(11)23-8-13(16)19/h5-7,10H,3-4,8H2,1-2H3,(H2,16,19)(H,18,20)/b17-7-
InChIKeyVUUJZLJCQYSBLC-IDUWFGFVSA-N
XLogP0.43
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-4-tert-butylcyclohexane-1-carboxamide
CID 5431767
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6908744
2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 8861765
2-[2-bromo-4-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetamide
CID 57363032
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8826313
1-(3,4-dimethoxybenzoyl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]piperidine-4-carboxamide
CID 126011029
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
2-[4-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8871416
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 8826639
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
2-[4-[(Z)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8825944

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide (CID 8826202) is N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide is COc1cc(/C=N\NC(=O)C2CC2)cc(OC)c1OCC(N)=O.
What is the InChIKey of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide?
The InChIKey is VUUJZLJCQYSBLC-IDUWFGFVSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-21-11-5-9(7-17-18-15(20)10-3-4-10)6-12(22-2)14(11)23-8-13(16)19/h5-7,10H,3-4,8H2,1-2H3,(H2,16,19)(H,18,20)/b17-7-.
What are the key properties of N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide?
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide has a molecular weight of 321.33 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 8826202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).