N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide

C27H25N3O5 — CID 163967404

IUPACN-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)CCC2=O)C3=O)c2ccccc21
InChIInChI=1S/C27H25N3O5/c1-29-15-17(19-6-2-3-8-21(19)29)13-24(33)28-14-16-5-4-7-20-25(16)27(35)30(26(20)34)22-11-9-18(31)10-12-23(22)32/h2-8,15,22H,9-14H2,1H3,(H,28,33)
InChIKeySMZWGFZIVIZMOL-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.71
Rot. Bonds5

About N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide

N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 163967404) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID163967404
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)CCC2=O)C3=O)c2ccccc21
InChIInChI=1S/C27H25N3O5/c1-29-15-17(19-6-2-3-8-21(19)29)13-24(33)28-14-16-5-4-7-20-25(16)27(35)30(26(20)34)22-11-9-18(31)10-12-23(22)32/h2-8,15,22H,9-14H2,1H3,(H,28,33)
InChIKeySMZWGFZIVIZMOL-UHFFFAOYSA-N
XLogP2.71
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]-1,1-dimethylurea
CID 58307221
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 58307176
2-[3,5-bis(trifluoromethyl)phenyl]-N-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]acetamide
CID 58307267
N-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]quinoxaline-2-carboxamide
CID 58307246
N-[[2-(2,4-dioxocyclohexyl)-1,3-dioxoisoindol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 58307284
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 58827322
1,1-diethyl-3-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]urea
CID 21040121
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-4-(hydroxymethyl)benzamide
CID 71213468
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide (CID 163967404) is N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)NCc2cccc3c2C(=O)N(C2CCC(=O)CCC2=O)C3=O)c2ccccc21.
What is the InChIKey of N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is SMZWGFZIVIZMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-29-15-17(19-6-2-3-8-21(19)29)13-24(33)28-14-16-5-4-7-20-25(16)27(35)30(26(20)34)22-11-9-18(31)10-12-23(22)32/h2-8,15,22H,9-14H2,1H3,(H,28,33).
What are the key properties of N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide?
N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 471.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dioxocycloheptyl)-1,3-dioxoisoindol-4-yl]methyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 163967404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).