1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide

C22H26N2O — CID 86273677

IUPAC1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N2O/c1-4-5-15-24-16-19(18-13-9-10-14-20(18)24)21(25)23-22(2,3)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)
InChIKeyBSZWUQMCGNYLJR-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.11
Rot. Bonds6

About 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide

1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide (PubChem CID 86273677) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
PubChem CID86273677
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C22H26N2O/c1-4-5-15-24-16-19(18-13-9-10-14-20(18)24)21(25)23-22(2,3)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,25)
InChIKeyBSZWUQMCGNYLJR-UHFFFAOYSA-N
XLogP5.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide (CID 86273677) is 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide is CCCCn1cc(C(=O)NC(C)(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The InChIKey is BSZWUQMCGNYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-4-5-15-24-16-19(18-13-9-10-14-20(18)24)21(25)23-22(2,3)17-11-7-6-8-12-17/h6-14,16H,4-5,15H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-phenylpropan-2-yl)indole-3-carboxamide is sourced from PubChem (CID 86273677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).