N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide

C23H24N2O4 — CID 60532623

IUPACN-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C23H24N2O4/c1-28-19-7-5-15(6-8-19)23(27)25-10-9-24-22(26)13-18-14-29-21-12-17-4-2-3-16(17)11-20(18)21/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPZMRJZGWDROYDE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide

N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide (PubChem CID 60532623) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
PubChem CID60532623
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1
InChIInChI=1S/C23H24N2O4/c1-28-19-7-5-15(6-8-19)23(27)25-10-9-24-22(26)13-18-14-29-21-12-17-4-2-3-16(17)11-20(18)21/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,24,26)(H,25,27)
InChIKeyPZMRJZGWDROYDE-UHFFFAOYSA-N
XLogP3.02
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33111138
(4-methoxyphenyl) 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 18277245
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetate
CID 2403819
4-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-N-ethylbenzamide
CID 55802388
N-(3-butoxypropyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 29292447
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-ethoxypropyl)acetamide
CID 29292252
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26444960
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 24685493
N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
CID 35428235
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 2641753

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide (CID 60532623) is N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCNC(=O)Cc2coc3cc4c(cc23)CCC4)cc1.
What is the InChIKey of N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide?
The InChIKey is PZMRJZGWDROYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-19-7-5-15(6-8-19)23(27)25-10-9-24-22(26)13-18-14-29-21-12-17-4-2-3-16(17)11-20(18)21/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide?
N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 60532623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).