N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide

C36H37N3O4 — CID 10460765

IUPACN-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide
SMILESCCCc1nnc(C(Cc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Oc5ccccc5)cc4)c3)cc2)OCC)o1
InChIInChI=1S/C36H37N3O4/c1-4-10-34-37-38-35(43-34)33(41-5-2)24-26-15-17-28(18-16-26)30-12-9-11-27(23-30)25-39(3)36(40)29-19-21-32(22-20-29)42-31-13-7-6-8-14-31/h6-9,11-23,33H,4-5,10,24-25H2,1-3H3
InChIKeyBUEAHWIHAYPBLO-UHFFFAOYSA-N
MW575.71 g/mol
LogP8.07
Rot. Bonds13

About N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide

N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide (PubChem CID 10460765) has the molecular formula C36H37N3O4 and a molecular weight of 575.71 g/mol. Its IUPAC name is N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide
PubChem CID10460765
Molecular FormulaC36H37N3O4
Molecular Weight575.71 g/mol
Exact Mass575.28
IUPAC NameN-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide
SMILESCCCc1nnc(C(Cc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Oc5ccccc5)cc4)c3)cc2)OCC)o1
InChIInChI=1S/C36H37N3O4/c1-4-10-34-37-38-35(43-34)33(41-5-2)24-26-15-17-28(18-16-26)30-12-9-11-27(23-30)25-39(3)36(40)29-19-21-32(22-20-29)42-31-13-7-6-8-14-31/h6-9,11-23,33H,4-5,10,24-25H2,1-3H3
InChIKeyBUEAHWIHAYPBLO-UHFFFAOYSA-N
XLogP8.07
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide?
The IUPAC name of N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide (CID 10460765) is N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide.
What is the SMILES notation for N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide?
The canonical SMILES for N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide is CCCc1nnc(C(Cc2ccc(-c3cccc(CN(C)C(=O)c4ccc(Oc5ccccc5)cc4)c3)cc2)OCC)o1.
What is the InChIKey of N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide?
The InChIKey is BUEAHWIHAYPBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O4/c1-4-10-34-37-38-35(43-34)33(41-5-2)24-26-15-17-28(18-16-26)30-12-9-11-27(23-30)25-39(3)36(40)29-19-21-32(22-20-29)42-31-13-7-6-8-14-31/h6-9,11-23,33H,4-5,10,24-25H2,1-3H3.
What are the key properties of N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide?
N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide has a molecular weight of 575.71 g/mol, XLogP of 8.07, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-ethoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)ethyl]phenyl]phenyl]methyl]-N-methyl-4-phenoxybenzamide is sourced from PubChem (CID 10460765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).