2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide

C25H26N2O3 — CID 17050635

IUPAC2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-25(2,3)20-14-8-10-16-22(20)30-17-23(28)27-21-15-9-7-13-19(21)24(29)26-18-11-5-4-6-12-18/h4-16H,17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyPCJURDPJRSFKJV-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.25
Rot. Bonds6

About 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide

2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide (PubChem CID 17050635) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
PubChem CID17050635
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-25(2,3)20-14-8-10-16-22(20)30-17-23(28)27-21-15-9-7-13-19(21)24(29)26-18-11-5-4-6-12-18/h4-16H,17H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyPCJURDPJRSFKJV-UHFFFAOYSA-N
XLogP5.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]benzamide;hydrochloride
CID 120603710
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
2-(2-tert-butylphenoxy)-N-(2-iodophenyl)acetamide
CID 36678366
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454
4-[[2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1230927
2-(2-tert-butylphenoxy)-N-(2-prop-2-enoxyphenyl)acetamide
CID 17098053
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-ethoxybenzoate
CID 8606761
2-(2-tert-butylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 17050626
2-(2-bromophenoxy)-N-(2-tert-butylphenyl)acetamide
CID 31277256

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide (CID 17050635) is 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide is CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
The InChIKey is PCJURDPJRSFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-25(2,3)20-14-8-10-16-22(20)30-17-23(28)27-21-15-9-7-13-19(21)24(29)26-18-11-5-4-6-12-18/h4-16H,17H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide?
2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 17050635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).