4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C22H26N2O — CID 3314807

IUPAC4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O/c1-16-15-18-7-5-6-8-20(18)24(16)14-13-23-21(25)17-9-11-19(12-10-17)22(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,23,25)
InChIKeyBOCFAACKSIXVEB-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.68
Rot. Bonds4

About 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 3314807) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID3314807
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O/c1-16-15-18-7-5-6-8-20(18)24(16)14-13-23-21(25)17-9-11-19(12-10-17)22(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,23,25)
InChIKeyBOCFAACKSIXVEB-UHFFFAOYSA-N
XLogP4.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
CID 90680601
N-[2-(2-methylindol-1-yl)ethyl]-2,2-diphenylacetamide
CID 3473428
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
3-(4-fluorophenyl)-N-[2-(2-methylindol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 118484167

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 3314807) is 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is BOCFAACKSIXVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-16-15-18-7-5-6-8-20(18)24(16)14-13-23-21(25)17-9-11-19(12-10-17)22(2,3)4/h5-12,15H,13-14H2,1-4H3,(H,23,25).
What are the key properties of 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 334.46 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 3314807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).