N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide

C20H19N3O5 — CID 8915094

IUPACN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-2-28-14-9-7-13(8-10-14)18(25)22-21-17(24)11-12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWVOFTPXMNUXRCT-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.53
Rot. Bonds6

About N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide

N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide (PubChem CID 8915094) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
PubChem CID8915094
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H19N3O5/c1-2-28-14-9-7-13(8-10-14)18(25)22-21-17(24)11-12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyWVOFTPXMNUXRCT-UHFFFAOYSA-N
XLogP1.53
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoyl]-4-ethoxybenzohydrazide
CID 9327673
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
N'-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl]-4-ethoxybenzohydrazide
CID 30436437
3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 34250803
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
3-(1,3-dioxoisoindol-2-yl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108572147
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55398248
N'-[2-(1,3-dioxoisoindol-2-yl)acetyl]-4-ethylbenzohydrazide
CID 8879643
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9086478

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide (CID 8915094) is N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide?
The InChIKey is WVOFTPXMNUXRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-2-28-14-9-7-13(8-10-14)18(25)22-21-17(24)11-12-23-19(26)15-5-3-4-6-16(15)20(23)27/h3-10H,2,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide?
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide has a molecular weight of 381.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 8915094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).