4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide

C28H26N4O4 — CID 4926312

IUPAC4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCC=C)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O4/c1-3-17-35-25-13-9-23(10-14-25)27(33)31-29-19-21-5-7-22(8-6-21)20-30-32-28(34)24-11-15-26(16-12-24)36-18-4-2/h3-16,19-20H,1-2,17-18H2,(H,31,33)(H,32,34)
InChIKeyJBBYQAQFTQTJCU-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.34
Rot. Bonds12

About 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide

4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide (PubChem CID 4926312) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
PubChem CID4926312
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
SMILESC=CCOc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCC=C)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O4/c1-3-17-35-25-13-9-23(10-14-25)27(33)31-29-19-21-5-7-22(8-6-21)20-30-32-28(34)24-11-15-26(16-12-24)36-18-4-2/h3-16,19-20H,1-2,17-18H2,(H,31,33)(H,32,34)
InChIKeyJBBYQAQFTQTJCU-UHFFFAOYSA-N
XLogP4.34
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 135588976
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
[4-[(Z)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
CID 6115360
3-chloro-4-methyl-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126062015
3-ethoxy-4-prop-2-enoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 126336930
3,4,5-trimethoxy-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6076839
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide (CID 4926312) is 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is C=CCOc1ccc(C(=O)NN=Cc2ccc(C=NNC(=O)c3ccc(OCC=C)cc3)cc2)cc1.
What is the InChIKey of 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
The InChIKey is JBBYQAQFTQTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-3-17-35-25-13-9-23(10-14-25)27(33)31-29-19-21-5-7-22(8-6-21)20-30-32-28(34)24-11-15-26(16-12-24)36-18-4-2/h3-16,19-20H,1-2,17-18H2,(H,31,33)(H,32,34).
What are the key properties of 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide?
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 4926312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).