N-benzyl-N-tert-butylbenzamide

C18H21NO — CID 4983336

IUPACN-benzyl-N-tert-butylbenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2,3)19(14-15-10-6-4-7-11-15)17(20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyMURLFZAAFOXTAD-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.13
Rot. Bonds3

About N-benzyl-N-tert-butylbenzamide

N-benzyl-N-tert-butylbenzamide (PubChem CID 4983336) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-N-tert-butylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butylbenzamide
PubChem CID4983336
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-N-tert-butylbenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2,3)19(14-15-10-6-4-7-11-15)17(20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyMURLFZAAFOXTAD-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butylbenzamide?
The IUPAC name of N-benzyl-N-tert-butylbenzamide (CID 4983336) is N-benzyl-N-tert-butylbenzamide.
What is the SMILES notation for N-benzyl-N-tert-butylbenzamide?
The canonical SMILES for N-benzyl-N-tert-butylbenzamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-tert-butylbenzamide?
The InChIKey is MURLFZAAFOXTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2,3)19(14-15-10-6-4-7-11-15)17(20)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butylbenzamide?
N-benzyl-N-tert-butylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butylbenzamide is sourced from PubChem (CID 4983336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).