2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

C23H27F3N2O3 — CID 155524612

IUPAC2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C23H27F3N2O3/c1-4-5-17-6-12-20(13-7-17)31-15-22(30)28(16(2)3)14-21(29)27-19-10-8-18(9-11-19)23(24,25)26/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,29)
InChIKeyGHYWBKPKEVTUJI-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.91
Rot. Bonds9

About 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 155524612) has the molecular formula C23H27F3N2O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID155524612
Molecular FormulaC23H27F3N2O3
Molecular Weight436.47 g/mol
Exact Mass436.20
IUPAC Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C23H27F3N2O3/c1-4-5-17-6-12-20(13-7-17)31-15-22(30)28(16(2)3)14-21(29)27-19-10-8-18(9-11-19)23(24,25)26/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,29)
InChIKeyGHYWBKPKEVTUJI-UHFFFAOYSA-N
XLogP4.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 155524612) is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GHYWBKPKEVTUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3/c1-4-5-17-6-12-20(13-7-17)31-15-22(30)28(16(2)3)14-21(29)27-19-10-8-18(9-11-19)23(24,25)26/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,29).
What are the key properties of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 155524612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).