4-tert-butyl-N-(3-tert-butylphenyl)benzamide

C21H27NO — CID 170716267

IUPAC4-tert-butyl-N-(3-tert-butylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C21H27NO/c1-20(2,3)16-12-10-15(11-13-16)19(23)22-18-9-7-8-17(14-18)21(4,5)6/h7-14H,1-6H3,(H,22,23)
InChIKeyUVJBWDMPOYWRGX-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.53
Rot. Bonds2

About 4-tert-butyl-N-(3-tert-butylphenyl)benzamide

4-tert-butyl-N-(3-tert-butylphenyl)benzamide (PubChem CID 170716267) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-tert-butylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-tert-butylphenyl)benzamide
PubChem CID170716267
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-tert-butyl-N-(3-tert-butylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C21H27NO/c1-20(2,3)16-12-10-15(11-13-16)19(23)22-18-9-7-8-17(14-18)21(4,5)6/h7-14H,1-6H3,(H,22,23)
InChIKeyUVJBWDMPOYWRGX-UHFFFAOYSA-N
XLogP5.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
N-(3-tert-butylphenyl)-2-tritiobenzamide
CID 162779949
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
4-fluoro-N-[3-(2-sulfanylpropan-2-yl)phenyl]benzamide
CID 146322592
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 2246745
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-tert-butylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-tert-butylphenyl)benzamide (CID 170716267) is 4-tert-butyl-N-(3-tert-butylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-tert-butylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-tert-butylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-tert-butylphenyl)benzamide?
The InChIKey is UVJBWDMPOYWRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-20(2,3)16-12-10-15(11-13-16)19(23)22-18-9-7-8-17(14-18)21(4,5)6/h7-14H,1-6H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-(3-tert-butylphenyl)benzamide?
4-tert-butyl-N-(3-tert-butylphenyl)benzamide has a molecular weight of 309.45 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-tert-butylphenyl)benzamide is sourced from PubChem (CID 170716267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).