4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide

C24H32N2O2 — CID 22177478

IUPAC4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(N)=O)c(CCc2cc(C(C)(C)C)ccc2C(N)=O)c1
InChIInChI=1S/C24H32N2O2/c1-23(2,3)17-9-11-19(21(25)27)15(13-17)7-8-16-14-18(24(4,5)6)10-12-20(16)22(26)28/h9-14H,7-8H2,1-6H3,(H2,25,27)(H2,26,28)
InChIKeyUDKBEKXXCNFLEP-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.26
Rot. Bonds5

About 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide

4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide (PubChem CID 22177478) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide
PubChem CID22177478
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(C(N)=O)c(CCc2cc(C(C)(C)C)ccc2C(N)=O)c1
InChIInChI=1S/C24H32N2O2/c1-23(2,3)17-9-11-19(21(25)27)15(13-17)7-8-16-14-18(24(4,5)6)10-12-20(16)22(26)28/h9-14H,7-8H2,1-6H3,(H2,25,27)(H2,26,28)
InChIKeyUDKBEKXXCNFLEP-UHFFFAOYSA-N
XLogP4.26
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide (CID 22177478) is 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide is CC(C)(C)c1ccc(C(N)=O)c(CCc2cc(C(C)(C)C)ccc2C(N)=O)c1.
What is the InChIKey of 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide?
The InChIKey is UDKBEKXXCNFLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-23(2,3)17-9-11-19(21(25)27)15(13-17)7-8-16-14-18(24(4,5)6)10-12-20(16)22(26)28/h9-14H,7-8H2,1-6H3,(H2,25,27)(H2,26,28).
What are the key properties of 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide?
4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide has a molecular weight of 380.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(5-tert-butyl-2-carbamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 22177478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).