N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide

C18H14N4O6 — CID 7303308

IUPACN-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C/C=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O6/c23-17(11-1-3-13-15(7-11)27-9-25-13)21-19-5-6-20-22-18(24)12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,21,23)(H,22,24)/b19-5+,20-6+
InChIKeyMDRDOKKOYPKKHL-OGBZJDJUSA-N
MW382.33 g/mol
LogP1.28
Rot. Bonds5

About N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide

N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide (PubChem CID 7303308) has the molecular formula C18H14N4O6 and a molecular weight of 382.33 g/mol. Its IUPAC name is N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
PubChem CID7303308
Molecular FormulaC18H14N4O6
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC NameN-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide
SMILESO=C(N/N=C/C=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N4O6/c23-17(11-1-3-13-15(7-11)27-9-25-13)21-19-5-6-20-22-18(24)12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,21,23)(H,22,24)/b19-5+,20-6+
InChIKeyMDRDOKKOYPKKHL-OGBZJDJUSA-N
XLogP1.28
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[[(E)-3-(4-bromophenyl)prop-2-enylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 24792357
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-(cyclohexylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 5128114
N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233477
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-[(E)-[(2S)-2-phenylpropylidene]amino]-1,3-benzodioxole-5-carboxamide
CID 7494635
N-[(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2693777
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6902013
N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 5497765
N-[(2,4-dimethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2593022
N-[(4-ethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592997

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide (CID 7303308) is N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide is O=C(N/N=C/C=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MDRDOKKOYPKKHL-OGBZJDJUSA-N. The full InChI is InChI=1S/C18H14N4O6/c23-17(11-1-3-13-15(7-11)27-9-25-13)21-19-5-6-20-22-18(24)12-2-4-14-16(8-12)28-10-26-14/h1-8H,9-10H2,(H,21,23)(H,22,24)/b19-5+,20-6+.
What are the key properties of N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide?
N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide has a molecular weight of 382.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-2-(1,3-benzodioxole-5-carbonylhydrazinylidene)ethylidene]amino]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7303308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).