4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide

C22H28N2O3 — CID 9252674

IUPAC4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
SMILESCC(C)NC(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)23-20(25)14-27-19-12-10-18(11-13-19)24-21(26)16-6-8-17(9-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyNPPAFPZNSXGXJB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.14
Rot. Bonds6

About 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide

4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide (PubChem CID 9252674) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
PubChem CID9252674
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide
SMILESCC(C)NC(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-15(2)23-20(25)14-27-19-12-10-18(11-13-19)24-21(26)16-6-8-17(9-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyNPPAFPZNSXGXJB-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
4-tert-butyl-N-[4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]carbamoyl]phenyl]benzamide
CID 17093395
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
2-[[2-(4-tert-butylphenoxy)acetyl]amino]propanoic acid
CID 16641722

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide (CID 9252674) is 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide is CC(C)NC(=O)COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide?
The InChIKey is NPPAFPZNSXGXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)23-20(25)14-27-19-12-10-18(11-13-19)24-21(26)16-6-8-17(9-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide?
4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 9252674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).