5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide

C24H23N3O3 — CID 134285576

IUPAC5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2c1
InChIInChI=1S/C24H23N3O3/c1-13(28)14-5-7-18-15(9-14)12-21(27-18)23(30)25-17-6-8-19-16(10-17)11-20(26-19)22(29)24(2,3)4/h5-12,26-27H,1-4H3,(H,25,30)
InChIKeyFUBSYCVRVFLSRP-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.33
Rot. Bonds4

About 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide

5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide (PubChem CID 134285576) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
PubChem CID134285576
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide
SMILESCC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2c1
InChIInChI=1S/C24H23N3O3/c1-13(28)14-5-7-18-15(9-14)12-21(27-18)23(30)25-17-6-8-19-16(10-17)11-20(26-19)22(29)24(2,3)4/h5-12,26-27H,1-4H3,(H,25,30)
InChIKeyFUBSYCVRVFLSRP-UHFFFAOYSA-N
XLogP5.33
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
5-(2,2-dimethylpropanoyl)-N-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1H-indole-2-carboxamide
CID 58408911
5-N-[2-(methylamino)ethyl]-2-N-[2-[2-(methylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747078
2-[(2-butan-2-yloxycarbonyl-1H-indol-5-yl)carbamoyl]-1H-indole-5-carboxylic acid
CID 70302632
2-N-(2-aminoethyl)-5-N-[2-(2-aminoethylcarbamoyl)-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 58747054
N-(4-acetamido-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 46550602
N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-hydroxybenzamide
CID 58409030
5-N-[2-[(N'-methylcarbamimidoyl)amino]ethyl]-2-N-[2-[2-[(N'-methylcarbamimidoyl)amino]ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2,5-dicarboxamide
CID 10461697
N-(2-methylpropyl)-5-[[4-(trifluoromethyl)benzoyl]amino]-1H-indole-2-carboxamide
CID 83280456
N-(4-bromo-3-methylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 113207145

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide (CID 134285576) is 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide is CC(=O)c1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)C(C)(C)C)cc4c3)cc2c1.
What is the InChIKey of 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is FUBSYCVRVFLSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-13(28)14-5-7-18-15(9-14)12-21(27-18)23(30)25-17-6-8-19-16(10-17)11-20(26-19)22(29)24(2,3)4/h5-12,26-27H,1-4H3,(H,25,30).
What are the key properties of 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide?
5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(2,2-dimethylpropanoyl)-1H-indol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).