N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide

C21H24N4O4 — CID 24586065

IUPACN'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O4/c1-2-3-6-13-25-21(28)17-10-5-4-9-16(17)19(24-25)20(27)23-22-18(26)12-11-15-8-7-14-29-15/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyREVXAXNQUABHMC-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.57
Rot. Bonds8

About N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide

N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide (PubChem CID 24586065) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
PubChem CID24586065
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)CCc2ccco2)c2ccccc2c1=O
InChIInChI=1S/C21H24N4O4/c1-2-3-6-13-25-21(28)17-10-5-4-9-16(17)19(24-25)20(27)23-22-18(26)12-11-15-8-7-14-29-15/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyREVXAXNQUABHMC-UHFFFAOYSA-N
XLogP2.57
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-3-pentyl-N'-(3-pyridin-2-ylpropanoyl)phthalazine-1-carbohydrazide
CID 60599880
N'-[3-(2,4-dimethylphenyl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 41453316
N'-[4-(4-chlorophenyl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788932
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N-[4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]furan-2-carboxamide
CID 27679094
N'-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55678680
4-oxo-3-pentyl-N'-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 55428038
N'-(3-methyl-3-phenylbutanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 60596220
N'-[3-(2,3-dichlorophenoxy)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55788848
N-[4-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27563932
N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4806035

Frequently Asked Questions

What is the IUPAC name of N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide (CID 24586065) is N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)CCc2ccco2)c2ccccc2c1=O.
What is the InChIKey of N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is REVXAXNQUABHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-3-6-13-25-21(28)17-10-5-4-9-16(17)19(24-25)20(27)23-22-18(26)12-11-15-8-7-14-29-15/h4-5,7-10,14H,2-3,6,11-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide?
N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 396.45 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(furan-2-yl)propanoyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 24586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).