2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide

C18H20N4O5 — CID 8861765

IUPAC2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N4O5/c1-25-14-8-12(9-15(26-2)17(14)27-11-16(19)23)10-20-22-18(24)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,19,23)(H2,21,22,24)/b20-10-
InChIKeyGSEUFIXDTZLOPQ-JMIUGGIZSA-N
MW372.38 g/mol
LogP1.72
Rot. Bonds8

About 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide

2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 8861765) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID8861765
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESCOc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C18H20N4O5/c1-25-14-8-12(9-15(26-2)17(14)27-11-16(19)23)10-20-22-18(24)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,19,23)(H2,21,22,24)/b20-10-
InChIKeyGSEUFIXDTZLOPQ-JMIUGGIZSA-N
XLogP1.72
TPSA124.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
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

1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508753
1-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-phenylurea
CID 96883969
2-[4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-2,6-dimethoxyphenoxy]acetamide
CID 8826313
2-[2-methoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126014913
1-[(E)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylurea
CID 110508812
1-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-3-phenylurea
CID 9243043
N-[(Z)-[4-(2-amino-2-oxoethoxy)-3,5-dimethoxyphenyl]methylideneamino]cyclopropanecarboxamide
CID 8826202
1-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
CID 110508757
1-[(E)-(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylideneamino]-3-phenylurea
CID 110508811
1-(3-chlorophenyl)-3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]urea
CID 19172582
5-[[2-methoxy-4-[(phenylcarbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3900269
1-[[4-[3-(4-ethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]-3-phenylurea
CID 5200556

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide (CID 8861765) is 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide is COc1cc(/C=N\NC(=O)Nc2ccccc2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is GSEUFIXDTZLOPQ-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-25-14-8-12(9-15(26-2)17(14)27-11-16(19)23)10-20-22-18(24)21-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,19,23)(H2,21,22,24)/b20-10-.
What are the key properties of 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide?
2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 372.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 8861765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).