N-tert-butyl-2-(4-methylphenyl)benzamide

C18H21NO — CID 19036093

IUPACN-tert-butyl-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H21NO/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyCQYDSLIEFWZKSZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.19
Rot. Bonds2

About N-tert-butyl-2-(4-methylphenyl)benzamide

N-tert-butyl-2-(4-methylphenyl)benzamide (PubChem CID 19036093) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylphenyl)benzamide
PubChem CID19036093
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-tert-butyl-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C18H21NO/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKeyCQYDSLIEFWZKSZ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-methylphenyl)benzamide?
The IUPAC name of N-tert-butyl-2-(4-methylphenyl)benzamide (CID 19036093) is N-tert-butyl-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-tert-butyl-2-(4-methylphenyl)benzamide is Cc1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-(4-methylphenyl)benzamide?
The InChIKey is CQYDSLIEFWZKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-11-14(12-10-13)15-7-5-6-8-16(15)17(20)19-18(2,3)4/h5-12H,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-2-(4-methylphenyl)benzamide?
N-tert-butyl-2-(4-methylphenyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 19036093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).