N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide

C21H26N2O3 — CID 55549107

IUPACN-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-15-8-6-7-9-18(15)26-14-19(24)22-17-12-10-16(11-13-17)20(25)23-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOTJZACCUROIJJT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.79
Rot. Bonds6

About N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide

N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide (PubChem CID 55549107) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
PubChem CID55549107
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-15-8-6-7-9-18(15)26-14-19(24)22-17-12-10-16(11-13-17)20(25)23-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOTJZACCUROIJJT-UHFFFAOYSA-N
XLogP3.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
2-(2-ethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 46669396
2-(2-ethylphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711312
butyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175455
N-tert-butyl-3,5-bis[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 2901481
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
N-tert-butyl-4-[[2-(2,4-dinitrophenoxy)acetyl]amino]benzamide
CID 17359066
ethyl 3-[4-(tert-butylcarbamoyl)anilino]-3-oxopropanoate
CID 17199584

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide (CID 55549107) is N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide is CCc1ccccc1OCC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide?
The InChIKey is OTJZACCUROIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-15-8-6-7-9-18(15)26-14-19(24)22-17-12-10-16(11-13-17)20(25)23-21(2,3)4/h6-13H,5,14H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide?
N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 55549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).