N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C26H28N4O3 — CID 162664257

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4n3)no2)C(C)C)cc1
InChIInChI=1S/C26H28N4O3/c1-4-7-19-10-13-21(14-11-19)32-17-25(31)30(18(2)3)16-24-28-26(29-33-24)23-15-12-20-8-5-6-9-22(20)27-23/h5-6,8-15,18H,4,7,16-17H2,1-3H3
InChIKeyKPAUFYIEGIDGEA-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.05
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 162664257) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID162664257
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4n3)no2)C(C)C)cc1
InChIInChI=1S/C26H28N4O3/c1-4-7-19-10-13-21(14-11-19)32-17-25(31)30(18(2)3)16-24-28-26(29-33-24)23-15-12-20-8-5-6-9-22(20)27-23/h5-6,8-15,18H,4,7,16-17H2,1-3H3
InChIKeyKPAUFYIEGIDGEA-UHFFFAOYSA-N
XLogP5.05
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 162664257) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2nc(-c3ccc4ccccc4n3)no2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is KPAUFYIEGIDGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-4-7-19-10-13-21(14-11-19)32-17-25(31)30(18(2)3)16-24-28-26(29-33-24)23-15-12-20-8-5-6-9-22(20)27-23/h5-6,8-15,18H,4,7,16-17H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 5.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 162664257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).