4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide

C22H29NO — CID 100668816

IUPAC4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO/c1-6-16-8-9-17(7-2)19(14-16)15-23-21(24)18-10-12-20(13-11-18)22(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,23,24)
InChIKeyANRUEDOHPCNZLK-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.04
Rot. Bonds5

About 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide

4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide (PubChem CID 100668816) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
PubChem CID100668816
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide
SMILESCCc1ccc(CC)c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO/c1-6-16-8-9-17(7-2)19(14-16)15-23-21(24)18-10-12-20(13-11-18)22(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,23,24)
InChIKeyANRUEDOHPCNZLK-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854419
N-[(2,5-diethylphenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 100719664
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
N-[(4-bromo-2-chlorophenyl)methyl]-4-tert-butylbenzamide
CID 171934642
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(2,5-diethylphenyl)methyl]benzamide
CID 100719790
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide (CID 100668816) is 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide is CCc1ccc(CC)c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide?
The InChIKey is ANRUEDOHPCNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-6-16-8-9-17(7-2)19(14-16)15-23-21(24)18-10-12-20(13-11-18)22(3,4)5/h8-14H,6-7,15H2,1-5H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide?
4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide has a molecular weight of 323.48 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2,5-diethylphenyl)methyl]benzamide is sourced from PubChem (CID 100668816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).