[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate

C17H17N3O4 — CID 6870979

IUPAC[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C17H17N3O4/c1-12(21)24-15-9-8-13(10-16(15)23-2)11-18-20-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+
InChIKeyOHGHUCDLEVTRFQ-WOJGMQOQSA-N
MW327.34 g/mol
LogP2.78
Rot. Bonds5

About [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate

[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate (PubChem CID 6870979) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate
PubChem CID6870979
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate
SMILESCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(C)=O
InChIInChI=1S/C17H17N3O4/c1-12(21)24-15-9-8-13(10-16(15)23-2)11-18-20-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+
InChIKeyOHGHUCDLEVTRFQ-WOJGMQOQSA-N
XLogP2.78
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-{4-[2-(aminocarbothioyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(4-methylphenyl)acetamide
CID 6874331
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 6876206
(2E)-2-(4-{2-[(3,4-dimethylphenyl)amino]-2-oxoethoxy}-3-ethoxybenzylidene)hydrazinecarboxamide
CID 6876207
1-[[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135455143
(2E)-2-(4-ethoxybenzylidene)-N-phenylhydrazinecarboxamide
CID 9556778
(2E)-2-{3-methoxy-4-[2-(2-methylphenoxy)ethoxy]benzylidene}-N-phenylhydrazinecarboxamide
CID 5344460
2-({2-[2-(3,4-dimethoxybenzylidene)hydrazino]-2-oxoethyl}thio)-N-phenylacetamide
CID 5344803
4-[2-(Anilinocarbonothioyl)carbonohydrazonoyl]phenyl acetate
CID 5349230
[4-[(E)-[[4-(cyclopropanecarbonylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6875717
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 6904350
3,4,5-Trimethoxybenzaldehyde N-phenylthiosemicarbazone
CID 7575253
3-Ethoxy-4-hydroxybenzaldehyde N-phenylthiosemicarbazone
CID 135491239

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate (CID 6870979) is [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate is COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate?
The InChIKey is OHGHUCDLEVTRFQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12(21)24-15-9-8-13(10-16(15)23-2)11-18-20-17(22)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+.
What are the key properties of [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate?
[2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate has a molecular weight of 327.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenyl] acetate is sourced from PubChem (CID 6870979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).