N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide

C32H30N4O6 — CID 70231096

IUPACN-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCCOc1ccc(C=NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C32H30N4O6/c1-39-29-19-23(21-33-35-31(37)25-9-5-3-6-10-25)13-15-27(29)41-17-18-42-28-16-14-24(20-30(28)40-2)22-34-36-32(38)26-11-7-4-8-12-26/h3-16,19-22H,17-18H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyRNTMQGJVDNLJKN-UHFFFAOYSA-N
MW566.61 g/mol
LogP4.69
Rot. Bonds13

About N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide

N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide (PubChem CID 70231096) has the molecular formula C32H30N4O6 and a molecular weight of 566.61 g/mol. Its IUPAC name is N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
PubChem CID70231096
Molecular FormulaC32H30N4O6
Molecular Weight566.61 g/mol
Exact Mass566.22
IUPAC NameN-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
SMILESCOc1cc(C=NNC(=O)c2ccccc2)ccc1OCCOc1ccc(C=NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C32H30N4O6/c1-39-29-19-23(21-33-35-31(37)25-9-5-3-6-10-25)13-15-27(29)41-17-18-42-28-16-14-24(20-30(28)40-2)22-34-36-32(38)26-11-7-4-8-12-26/h3-16,19-22H,17-18H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyRNTMQGJVDNLJKN-UHFFFAOYSA-N
XLogP4.69
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[3-(2,3-dimethylphenoxy)propoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 5158014
N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 7037969
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110507173
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
4-amino-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 6909799
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6894142
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The IUPAC name of N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide (CID 70231096) is N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide is COc1cc(C=NNC(=O)c2ccccc2)ccc1OCCOc1ccc(C=NNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide?
The InChIKey is RNTMQGJVDNLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O6/c1-39-29-19-23(21-33-35-31(37)25-9-5-3-6-10-25)13-15-27(29)41-17-18-42-28-16-14-24(20-30(28)40-2)22-34-36-32(38)26-11-7-4-8-12-26/h3-16,19-22H,17-18H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide?
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide has a molecular weight of 566.61 g/mol, XLogP of 4.69, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 70231096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).