methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate

C17H17N3O4 — CID 2165957

IUPACmethyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C=NNC(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-23-16(21)13-8-6-12(7-9-13)11-24-15-5-3-2-4-14(15)10-19-20-17(18)22/h2-10H,11H2,1H3,(H3,18,20,22)
InChIKeyDWOMNXAOTVBVMS-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.05
Rot. Bonds6

About methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate

methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate (PubChem CID 2165957) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
PubChem CID2165957
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
SMILESCOC(=O)c1ccc(COc2ccccc2C=NNC(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-23-16(21)13-8-6-12(7-9-13)11-24-15-5-3-2-4-14(15)10-19-20-17(18)22/h2-10H,11H2,1H3,(H3,18,20,22)
InChIKeyDWOMNXAOTVBVMS-UHFFFAOYSA-N
XLogP2.05
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.05
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'}

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Related Compounds

methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7986305
methyl 4-[[2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6906959
methyl 4-[[2-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7934580
methyl 4-[[2-[(Z)-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6057527
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
4-[[2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126342942
N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126338184
4-[[2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 8989417
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate (CID 2165957) is methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate is COC(=O)c1ccc(COc2ccccc2C=NNC(N)=O)cc1.
What is the InChIKey of methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The InChIKey is DWOMNXAOTVBVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-16(21)13-8-6-12(7-9-13)11-24-15-5-3-2-4-14(15)10-19-20-17(18)22/h2-10H,11H2,1H3,(H3,18,20,22).
What are the key properties of methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate has a molecular weight of 327.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 2165957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).