3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide

C25H29N3O7 — CID 34250803

IUPAC3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OCC)c1OCC
InChIInChI=1S/C25H29N3O7/c1-5-33-19-13-16(14-20(34-6-2)22(19)35-7-3)23(30)27-26-21(29)10-11-28-24(31)17-9-8-15(4)12-18(17)25(28)32/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPYUAVXJBRIMTPZ-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.64
Rot. Bonds10

About 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide

3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (PubChem CID 34250803) has the molecular formula C25H29N3O7 and a molecular weight of 483.52 g/mol. Its IUPAC name is 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
PubChem CID34250803
Molecular FormulaC25H29N3O7
Molecular Weight483.52 g/mol
Exact Mass483.20
IUPAC Name3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OCC)c1OCC
InChIInChI=1S/C25H29N3O7/c1-5-33-19-13-16(14-20(34-6-2)22(19)35-7-3)23(30)27-26-21(29)10-11-28-24(31)17-9-8-15(4)12-18(17)25(28)32/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyPYUAVXJBRIMTPZ-UHFFFAOYSA-N
XLogP2.64
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide (CID 34250803) is 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is CCOc1cc(C(=O)NNC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
The InChIKey is PYUAVXJBRIMTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O7/c1-5-33-19-13-16(14-20(34-6-2)22(19)35-7-3)23(30)27-26-21(29)10-11-28-24(31)17-9-8-15(4)12-18(17)25(28)32/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide?
3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide has a molecular weight of 483.52 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 34250803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).