N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide

C21H25NO2 — CID 793431

IUPACN-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25NO2/c1-13-11-14(2)18(15(3)12-13)19(23)16-7-9-17(10-8-16)20(24)22-21(4,5)6/h7-12H,1-6H3,(H,22,24)
InChIKeyUNIBWNPQEXAMMO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.37
Rot. Bonds3

About N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide

N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide (PubChem CID 793431) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide
PubChem CID793431
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide
SMILESCc1cc(C)c(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H25NO2/c1-13-11-14(2)18(15(3)12-13)19(23)16-7-9-17(10-8-16)20(24)22-21(4,5)6/h7-12H,1-6H3,(H,22,24)
InChIKeyUNIBWNPQEXAMMO-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tebufenozide
CID 91773
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338
4-Tert-butyl-N-(2-phenylethyl)benzamide
CID 809340
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
N'-(4-acetylbenzoyl)-N-tert-butyl-3,5-dimethylbenzohydrazide
CID 101920483
4-benzoyl-N,N-diethylbenzamide
CID 755990
4-[(3-Acetyl-phenyl)-piperidin-4-ylidene-methyl]-N,N-diethyl-benzamide
CID 10596575
Sdccggsk-0000288.P001
CID 44578255
[1-(4-Methylbenzoyl)piperidin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 2741902
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The IUPAC name of N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide (CID 793431) is N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide is Cc1cc(C)c(C(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c(C)c1.
What is the InChIKey of N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide?
The InChIKey is UNIBWNPQEXAMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-13-11-14(2)18(15(3)12-13)19(23)16-7-9-17(10-8-16)20(24)22-21(4,5)6/h7-12H,1-6H3,(H,22,24).
What are the key properties of N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide?
N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide has a molecular weight of 323.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,4,6-trimethylbenzoyl)benzamide is sourced from PubChem (CID 793431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).