2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide

C20H21N3O5 — CID 55375532

IUPAC2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)c1cc(C)oc1C)C2=O
InChIInChI=1S/C20H21N3O5/c1-11-6-7-14-16(9-11)20(27)23(19(14)26)8-4-5-17(24)21-22-18(25)15-10-12(2)28-13(15)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWGPOMBGOMMIKGV-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.04
Rot. Bonds5

About 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide (PubChem CID 55375532) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide
PubChem CID55375532
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)c1cc(C)oc1C)C2=O
InChIInChI=1S/C20H21N3O5/c1-11-6-7-14-16(9-11)20(27)23(19(14)26)8-4-5-17(24)21-22-18(25)15-10-12(2)28-13(15)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyWGPOMBGOMMIKGV-UHFFFAOYSA-N
XLogP2.04
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.04
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-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936
N-[4-(methylcarbamoylamino)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55520752
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 46475036
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
N-(3-fluorophenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 29371362
3,4,5-triethoxy-N'-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]benzohydrazide
CID 34250803
N-[2-(dimethylamino)-2-phenylethyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51265030
N-[4-(dimethylsulfamoyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 30436881
N-(3,4-dimethoxyphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27537877

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide (CID 55375532) is 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)c1cc(C)oc1C)C2=O.
What is the InChIKey of 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide?
The InChIKey is WGPOMBGOMMIKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11-6-7-14-16(9-11)20(27)23(19(14)26)8-4-5-17(24)21-22-18(25)15-10-12(2)28-13(15)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide has a molecular weight of 383.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 55375532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).