4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C21H26N2O3 — CID 7703623

IUPAC4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyIYQNXRXKEJYOJN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.70
Rot. Bonds5

About 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 7703623) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID7703623
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24)
InChIKeyIYQNXRXKEJYOJN-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328171
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
ethyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3274519
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
butyl 4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 7984519
butyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 3537065
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
4-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 7847490
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 7703623) is 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IYQNXRXKEJYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)16-8-12-18(13-9-16)26-14-19(24)22-17-10-6-15(7-11-17)20(25)23(4)5/h6-13H,14H2,1-5H3,(H,22,24).
What are the key properties of 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 7703623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).