N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

C29H38N4O2 — CID 3238586

IUPACN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C29H38N4O2/c1-4-23-11-13-25(14-12-23)29-31-27(22(3)35-29)21-32-18-15-24(16-19-32)28(34)30-17-20-33(5-2)26-9-7-6-8-10-26/h6-14,24H,4-5,15-21H2,1-3H3,(H,30,34)
InChIKeyYOTKGXVAXWZDGD-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.07
Rot. Bonds10

About N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide

N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 3238586) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
PubChem CID3238586
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC NameN-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C29H38N4O2/c1-4-23-11-13-25(14-12-23)29-31-27(22(3)35-29)21-32-18-15-24(16-19-32)28(34)30-17-20-33(5-2)26-9-7-6-8-10-26/h6-14,24H,4-5,15-21H2,1-3H3,(H,30,34)
InChIKeyYOTKGXVAXWZDGD-UHFFFAOYSA-N
XLogP5.07
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide (CID 3238586) is N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is CCc1ccc(-c2nc(CN3CCC(C(=O)NCCN(CC)c4ccccc4)CC3)c(C)o2)cc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is YOTKGXVAXWZDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-4-23-11-13-25(14-12-23)29-31-27(22(3)35-29)21-32-18-15-24(16-19-32)28(34)30-17-20-33(5-2)26-9-7-6-8-10-26/h6-14,24H,4-5,15-21H2,1-3H3,(H,30,34).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide?
N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).