N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C18H24N4O4 — CID 46986951

IUPACN-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1ccc(CN(CCOC)C(=O)CNC(=O)c2nonc2C)cc1
InChIInChI=1S/C18H24N4O4/c1-4-14-5-7-15(8-6-14)12-22(9-10-25-3)16(23)11-19-18(24)17-13(2)20-26-21-17/h5-8H,4,9-12H2,1-3H3,(H,19,24)
InChIKeyBITTWMDVEIJIFQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.35
Rot. Bonds9

About N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 46986951) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID46986951
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCc1ccc(CN(CCOC)C(=O)CNC(=O)c2nonc2C)cc1
InChIInChI=1S/C18H24N4O4/c1-4-14-5-7-15(8-6-14)12-22(9-10-25-3)16(23)11-19-18(24)17-13(2)20-26-21-17/h5-8H,4,9-12H2,1-3H3,(H,19,24)
InChIKeyBITTWMDVEIJIFQ-UHFFFAOYSA-N
XLogP1.35
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 46986951) is N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is CCc1ccc(CN(CCOC)C(=O)CNC(=O)c2nonc2C)cc1.
What is the InChIKey of N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is BITTWMDVEIJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-14-5-7-15(8-6-14)12-22(9-10-25-3)16(23)11-19-18(24)17-13(2)20-26-21-17/h5-8H,4,9-12H2,1-3H3,(H,19,24).
What are the key properties of N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 46986951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).