4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

C27H30N2O3 — CID 17235006

IUPAC4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-18-6-7-19(2)24(16-18)32-17-25(30)28-22-12-14-23(15-13-22)29-26(31)20-8-10-21(11-9-20)27(3,4)5/h6-16H,17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyRQHKOKLHRFARBW-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.87
Rot. Bonds6

About 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17235006) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17235006
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N2O3/c1-18-6-7-19(2)24(16-18)32-17-25(30)28-22-12-14-23(15-13-22)29-26(31)20-8-10-21(11-9-20)27(3,4)5/h6-16H,17H2,1-5H3,(H,28,30)(H,29,31)
InChIKeyRQHKOKLHRFARBW-UHFFFAOYSA-N
XLogP5.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
2-(2,5-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071565
2-methoxyethyl 4-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 19167161
4-tert-butyl-N-[3-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 46763392
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164583
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
CID 17235031
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364916
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639153
4-tert-butyl-N-[4-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]carbamothioylamino]phenyl]benzamide
CID 54784256
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 17235006) is 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is RQHKOKLHRFARBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-6-7-19(2)24(16-18)32-17-25(30)28-22-12-14-23(15-13-22)29-26(31)20-8-10-21(11-9-20)27(3,4)5/h6-16H,17H2,1-5H3,(H,28,30)(H,29,31).
What are the key properties of 4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 5.87, 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-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17235006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).