N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide

C21H24N2O — CID 11023651

IUPACN-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-21(2,3)13-14-22-20(24)17-8-10-18(11-9-17)23-15-12-16-6-4-5-7-19(16)23/h4-12,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyWFFDNQLEAMWQBV-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.80
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide

N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide (PubChem CID 11023651) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide
PubChem CID11023651
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)cc1
InChIInChI=1S/C21H24N2O/c1-21(2,3)13-14-22-20(24)17-8-10-18(11-9-17)23-15-12-16-6-4-5-7-19(16)23/h4-12,15H,13-14H2,1-3H3,(H,22,24)
InChIKeyWFFDNQLEAMWQBV-UHFFFAOYSA-N
XLogP4.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide (CID 11023651) is N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide is CC(C)(C)CCNC(=O)c1ccc(-n2ccc3ccccc32)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide?
The InChIKey is WFFDNQLEAMWQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-21(2,3)13-14-22-20(24)17-8-10-18(11-9-17)23-15-12-16-6-4-5-7-19(16)23/h4-12,15H,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide?
N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide has a molecular weight of 320.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-indol-1-ylbenzamide is sourced from PubChem (CID 11023651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).