N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide

C21H26N2O2 — CID 100710384

IUPACN-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-11-15(3)17(12-14(13)2)19(24)22-18-10-8-7-9-16(18)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyOCBDHXNJJKZFOR-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.39
Rot. Bonds3

About N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide

N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide (PubChem CID 100710384) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
PubChem CID100710384
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C21H26N2O2/c1-13-11-15(3)17(12-14(13)2)19(24)22-18-10-8-7-9-16(18)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyOCBDHXNJJKZFOR-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylbenzamide
CID 120620337
N-[2-(tert-butylcarbamoyl)phenyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715391
3-benzamido-N-[2-(tert-butylcarbamoyl)phenyl]-4-methylbenzamide
CID 17226566
N-[2-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
methyl 3-[[2-(tert-butylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175287
2-[[(2S)-2-aminopropanoyl]amino]-N-tert-butylbenzamide
CID 119280561
ethyl 2-[2-(tert-butylcarbamoyl)anilino]-2-oxoacetate
CID 2991099
N-tert-butyl-2-[[4-(propanoylamino)benzoyl]amino]benzamide
CID 2938137
2-(acetylcarbamothioylamino)-N-tert-butylbenzamide
CID 4936592
1-N,4-N-bis[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
CID 4945134

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide (CID 100710384) is N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide?
The InChIKey is OCBDHXNJJKZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-11-15(3)17(12-14(13)2)19(24)22-18-10-8-7-9-16(18)20(25)23-21(4,5)6/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide?
N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoyl)phenyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 100710384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).