[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate

C32H28N2O5 — CID 4051908

IUPAC[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C=NNC(=O)C3CC3(c3ccccc3)c3ccccc3)cc2OC)c1
InChIInChI=1S/C32H28N2O5/c1-37-26-15-9-10-23(19-26)31(36)39-28-17-16-22(18-29(28)38-2)21-33-34-30(35)27-20-32(27,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-19,21,27H,20H2,1-2H3,(H,34,35)
InChIKeyOAXJMOOQVQPBFU-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.38
Rot. Bonds9

About [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate

[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate (PubChem CID 4051908) has the molecular formula C32H28N2O5 and a molecular weight of 520.59 g/mol. Its IUPAC name is [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
PubChem CID4051908
Molecular FormulaC32H28N2O5
Molecular Weight520.59 g/mol
Exact Mass520.20
IUPAC Name[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)Oc2ccc(C=NNC(=O)C3CC3(c3ccccc3)c3ccccc3)cc2OC)c1
InChIInChI=1S/C32H28N2O5/c1-37-26-15-9-10-23(19-26)31(36)39-28-17-16-22(18-29(28)38-2)21-33-34-30(35)27-20-32(27,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-19,21,27H,20H2,1-2H3,(H,34,35)
InChIKeyOAXJMOOQVQPBFU-UHFFFAOYSA-N
XLogP5.38
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.38
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 162647013
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4620113
[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3449538
[2-methoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 19659419
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 2837311
(1S)-N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7037543
[2-methoxy-4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methoxybenzoate
CID 1246963
[4-[[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4143597

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate?
The IUPAC name of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate (CID 4051908) is [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate.
What is the SMILES notation for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate?
The canonical SMILES for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate is COc1cccc(C(=O)Oc2ccc(C=NNC(=O)C3CC3(c3ccccc3)c3ccccc3)cc2OC)c1.
What is the InChIKey of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate?
The InChIKey is OAXJMOOQVQPBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O5/c1-37-26-15-9-10-23(19-26)31(36)39-28-17-16-22(18-29(28)38-2)21-33-34-30(35)27-20-32(27,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-19,21,27H,20H2,1-2H3,(H,34,35).
What are the key properties of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate?
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate has a molecular weight of 520.59 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate is sourced from PubChem (CID 4051908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).