N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide

C24H26N2O5 — CID 35428235

IUPACN'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC
InChIInChI=1S/C24H26N2O5/c1-3-9-30-20-8-7-17(12-22(20)29-2)24(28)26-25-23(27)13-18-14-31-21-11-16-6-4-5-15(16)10-19(18)21/h7-8,10-12,14H,3-6,9,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCARDKJXERNTKCV-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.72
Rot. Bonds7

About N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide

N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide (PubChem CID 35428235) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
PubChem CID35428235
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC
InChIInChI=1S/C24H26N2O5/c1-3-9-30-20-8-7-17(12-22(20)29-2)24(28)26-25-23(27)13-18-14-31-21-11-16-6-4-5-15(16)10-19(18)21/h7-8,10-12,14H,3-6,9,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCARDKJXERNTKCV-UHFFFAOYSA-N
XLogP3.72
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide with MolForge

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Related Compounds

N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
CID 60532623
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 18270509
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 26711149
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
CID 33242600
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide (CID 35428235) is N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1OC.
What is the InChIKey of N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is CARDKJXERNTKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-9-30-20-8-7-17(12-22(20)29-2)24(28)26-25-23(27)13-18-14-31-21-11-16-6-4-5-15(16)10-19(18)21/h7-8,10-12,14H,3-6,9,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide?
N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 422.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 35428235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).