N-benzyl-N-tert-butyl-2-methylbenzamide

C19H23NO — CID 853878

IUPACN-benzyl-N-tert-butyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NO/c1-15-10-8-9-13-17(15)18(21)20(19(2,3)4)14-16-11-6-5-7-12-16/h5-13H,14H2,1-4H3
InChIKeyXALGTFMZCVWIBL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.44
Rot. Bonds3

About N-benzyl-N-tert-butyl-2-methylbenzamide

N-benzyl-N-tert-butyl-2-methylbenzamide (PubChem CID 853878) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-2-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-2-methylbenzamide
PubChem CID853878
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-benzyl-N-tert-butyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H23NO/c1-15-10-8-9-13-17(15)18(21)20(19(2,3)4)14-16-11-6-5-7-12-16/h5-13H,14H2,1-4H3
InChIKeyXALGTFMZCVWIBL-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.44
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-butyl-2-methylbenzamide?
The IUPAC name of N-benzyl-N-tert-butyl-2-methylbenzamide (CID 853878) is N-benzyl-N-tert-butyl-2-methylbenzamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-2-methylbenzamide?
The canonical SMILES for N-benzyl-N-tert-butyl-2-methylbenzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-N-tert-butyl-2-methylbenzamide?
The InChIKey is XALGTFMZCVWIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-10-8-9-13-17(15)18(21)20(19(2,3)4)14-16-11-6-5-7-12-16/h5-13H,14H2,1-4H3.
What are the key properties of N-benzyl-N-tert-butyl-2-methylbenzamide?
N-benzyl-N-tert-butyl-2-methylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.44, 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-butyl-2-methylbenzamide is sourced from PubChem (CID 853878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).