2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide

C21H26N2O3 — CID 91962570

IUPAC2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C21H26N2O3/c1-14-9-8-10-15(2)19(14)22-20(25)16-11-6-7-12-17(16)26-13-18(24)23-21(3,4)5/h6-12H,13H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyBTWXNZWEMOTNCC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds5

About 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide

2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide (PubChem CID 91962570) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide
PubChem CID91962570
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C21H26N2O3/c1-14-9-8-10-15(2)19(14)22-20(25)16-11-6-7-12-17(16)26-13-18(24)23-21(3,4)5/h6-12H,13H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyBTWXNZWEMOTNCC-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(tert-butylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 1313364
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
2-(2-acetylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112781602
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
[2-(tert-butylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2404850
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
N-tert-butyl-2-(2-cyanophenoxy)acetamide
CID 2565352
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide (CID 91962570) is 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide?
The InChIKey is BTWXNZWEMOTNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-9-8-10-15(2)19(14)22-20(25)16-11-6-7-12-17(16)26-13-18(24)23-21(3,4)5/h6-12H,13H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide?
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethoxy]-N-(2,6-dimethylphenyl)benzamide is sourced from PubChem (CID 91962570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).