N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide

C21H27NO — CID 70682694

IUPACN-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
InChIKeyYNRVLEWFYBKYND-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.67
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide

N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide (PubChem CID 70682694) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
PubChem CID70682694
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide
SMILESCc1ccc(C(C)C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23)
InChIKeyYNRVLEWFYBKYND-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
1-N,2-N,3-N-tris(4-tert-butylphenyl)benzene-1,2,3-tricarboxamide
CID 70017205
1-N,4-N-bis(4-tert-butylphenyl)naphthalene-1,4-dicarboxamide
CID 67816317
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-[4-(1-hydroxyethyl)phenyl]-2,5-dimethylbenzamide
CID 43416665
5-bromo-N-(4-tert-butylphenyl)-2-methylbenzamide
CID 65307677
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
N-(4-tert-butylphenyl)-2-(methylamino)benzamide
CID 60706403

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide (CID 70682694) is N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide is Cc1ccc(C(C)C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide?
The InChIKey is YNRVLEWFYBKYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-14(2)18-12-7-15(3)13-19(18)20(23)22-17-10-8-16(9-11-17)21(4,5)6/h7-14H,1-6H3,(H,22,23).
What are the key properties of N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide?
N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide has a molecular weight of 309.45 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-methyl-2-propan-2-ylbenzamide is sourced from PubChem (CID 70682694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).