[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

C19H24N4O5 — CID 22086648

IUPAC[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccccc2/C=N/NC(N)N)cc(OC)c1OC
InChIInChI=1S/C19H24N4O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)10-17(24)28-14-7-5-4-6-13(14)11-22-23-19(20)21/h4-9,11,19,23H,10,20-21H2,1-3H3/b22-11+
InChIKeyYKZAPWVPFVBXFU-SSDVNMTOSA-N
MW388.42 g/mol
LogP0.99
Rot. Bonds9

About [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 22086648) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID22086648
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)Oc2ccccc2/C=N/NC(N)N)cc(OC)c1OC
InChIInChI=1S/C19H24N4O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)10-17(24)28-14-7-5-4-6-13(14)11-22-23-19(20)21/h4-9,11,19,23H,10,20-21H2,1-3H3/b22-11+
InChIKeyYKZAPWVPFVBXFU-SSDVNMTOSA-N
XLogP0.99
TPSA130.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510
N-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2599423
(4-phenylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7926501
[2-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 5430601
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
[2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 41329859
(2-ethoxyphenyl)methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013844
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
[2-[[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3104580
(2-chloro-5-methylphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 7921059

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 22086648) is [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)Oc2ccccc2/C=N/NC(N)N)cc(OC)c1OC.
What is the InChIKey of [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is YKZAPWVPFVBXFU-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-25-15-8-12(9-16(26-2)18(15)27-3)10-17(24)28-14-7-5-4-6-13(14)11-22-23-19(20)21/h4-9,11,19,23H,10,20-21H2,1-3H3/b22-11+.
What are the key properties of [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 388.42 g/mol, XLogP of 0.99, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-(diaminomethylhydrazinylidene)methyl]phenyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 22086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).