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

C23H26N2O — CID 155884426

IUPAC1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CC2CCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-23(2,18-11-4-3-5-12-18)24-22(26)20-16-25(15-17-9-8-10-17)21-14-7-6-13-19(20)21/h3-7,11-14,16-17H,8-10,15H2,1-2H3,(H,24,26)
InChIKeyINXXQNIOWMOYEJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.11
Rot. Bonds5

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

1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide (PubChem CID 155884426) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
PubChem CID155884426
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
SMILESCC(C)(NC(=O)c1cn(CC2CCC2)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N2O/c1-23(2,18-11-4-3-5-12-18)24-22(26)20-16-25(15-17-9-8-10-17)21-14-7-6-13-19(20)21/h3-7,11-14,16-17H,8-10,15H2,1-2H3,(H,24,26)
InChIKeyINXXQNIOWMOYEJ-UHFFFAOYSA-N
XLogP5.11
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
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-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The IUPAC name of 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide (CID 155884426) is 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide is CC(C)(NC(=O)c1cn(CC2CCC2)c2ccccc12)c1ccccc1.
What is the InChIKey of 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
The InChIKey is INXXQNIOWMOYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-23(2,18-11-4-3-5-12-18)24-22(26)20-16-25(15-17-9-8-10-17)21-14-7-6-13-19(20)21/h3-7,11-14,16-17H,8-10,15H2,1-2H3,(H,24,26).
What are the key properties of 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide?
1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide is sourced from PubChem (CID 155884426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).