N-benzyl-4-tert-butylbenzamide

C18H21NO — CID 809338

IUPACN-benzyl-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,3)16-11-9-15(10-12-16)17(20)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyYDWFQKUSPZKUPI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.91
Rot. Bonds3

About N-benzyl-4-tert-butylbenzamide

N-benzyl-4-tert-butylbenzamide (PubChem CID 809338) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-tert-butylbenzamide
PubChem CID809338
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H21NO/c1-18(2,3)16-11-9-15(10-12-16)17(20)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKeyYDWFQKUSPZKUPI-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-tert-butylbenzamide?
The IUPAC name of N-benzyl-4-tert-butylbenzamide (CID 809338) is N-benzyl-4-tert-butylbenzamide.
What is the SMILES notation for N-benzyl-4-tert-butylbenzamide?
The canonical SMILES for N-benzyl-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-tert-butylbenzamide?
The InChIKey is YDWFQKUSPZKUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,3)16-11-9-15(10-12-16)17(20)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20).
What are the key properties of N-benzyl-4-tert-butylbenzamide?
N-benzyl-4-tert-butylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-tert-butylbenzamide is sourced from PubChem (CID 809338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).