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

C28H32N2O3 — CID 17235031

IUPAC4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C28H32N2O3/c1-18-7-8-19(2)25(17-18)33-20(3)26(31)29-23-13-15-24(16-14-23)30-27(32)21-9-11-22(12-10-21)28(4,5)6/h7-17,20H,1-6H3,(H,29,31)(H,30,32)
InChIKeyQPJAVAOQZKVUIF-UHFFFAOYSA-N
MW444.58 g/mol
LogP6.26
Rot. Bonds6

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

4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 17235031) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID17235031
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide
SMILESCc1ccc(C)c(OC(C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1
InChIInChI=1S/C28H32N2O3/c1-18-7-8-19(2)25(17-18)33-20(3)26(31)29-23-13-15-24(16-14-23)30-27(32)21-9-11-22(12-10-21)28(4,5)6/h7-17,20H,1-6H3,(H,29,31)(H,30,32)
InChIKeyQPJAVAOQZKVUIF-UHFFFAOYSA-N
XLogP6.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
N-(4-acetamidophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944630
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
2-(2,5-dimethylphenoxy)-N-[4-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenoxy]phenyl]propanamide
CID 4945102
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
N-[4-(dimethylamino)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 53266988
4-tert-butyl-N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235006
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 121062532
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide (CID 17235031) is 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide is Cc1ccc(C)c(OC(C)C(=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)propanoylamino]phenyl]benzamide?
The InChIKey is QPJAVAOQZKVUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-18-7-8-19(2)25(17-18)33-20(3)26(31)29-23-13-15-24(16-14-23)30-27(32)21-9-11-22(12-10-21)28(4,5)6/h7-17,20H,1-6H3,(H,29,31)(H,30,32).
What are the key properties of 4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide?
4-tert-butyl-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 6.26, 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)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).