methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate

C24H28N4O4 — CID 10574942

IUPACmethyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate
SMILESCOC(=O)/C(CCCN(C)C)=N\Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-27(2)15-6-9-21(24(31)32-3)26-25-18-12-10-17(11-13-18)14-16-28-22(29)19-7-4-5-8-20(19)23(28)30/h4-5,7-8,10-13,25H,6,9,14-16H2,1-3H3/b26-21-
InChIKeyXSIXPVCPALXQBN-QLYXXIJNSA-N
MW436.51 g/mol
LogP2.81
Rot. Bonds10

About methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate

methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate (PubChem CID 10574942) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate.

Molecular Properties

Compound Namemethyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate
PubChem CID10574942
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate
SMILESCOC(=O)/C(CCCN(C)C)=N\Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-27(2)15-6-9-21(24(31)32-3)26-25-18-12-10-17(11-13-18)14-16-28-22(29)19-7-4-5-8-20(19)23(28)30/h4-5,7-8,10-13,25H,6,9,14-16H2,1-3H3/b26-21-
InChIKeyXSIXPVCPALXQBN-QLYXXIJNSA-N
XLogP2.81
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate?
The IUPAC name of methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate (CID 10574942) is methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate.
What is the SMILES notation for methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate?
The canonical SMILES for methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate is COC(=O)/C(CCCN(C)C)=N\Nc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate?
The InChIKey is XSIXPVCPALXQBN-QLYXXIJNSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-27(2)15-6-9-21(24(31)32-3)26-25-18-12-10-17(11-13-18)14-16-28-22(29)19-7-4-5-8-20(19)23(28)30/h4-5,7-8,10-13,25H,6,9,14-16H2,1-3H3/b26-21-.
What are the key properties of methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate?
methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate has a molecular weight of 436.51 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-5-(dimethylamino)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]hydrazinylidene]pentanoate is sourced from PubChem (CID 10574942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).