N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

C24H29N3O4 — CID 45212918

IUPACN-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)C(C)c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C24H29N3O4/c1-17(19-8-12-21(30-4)13-9-19)27(2)24(28)16-15-23-26-25-22(31-23)14-7-18-5-10-20(29-3)11-6-18/h5-6,8-13,17H,7,14-16H2,1-4H3
InChIKeyDSFNFSOHUMSRIK-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.02
Rot. Bonds10

About N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide

N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (PubChem CID 45212918) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
PubChem CID45212918
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)C(C)c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C24H29N3O4/c1-17(19-8-12-21(30-4)13-9-19)27(2)24(28)16-15-23-26-25-22(31-23)14-7-18-5-10-20(29-3)11-6-18/h5-6,8-13,17H,7,14-16H2,1-4H3
InChIKeyDSFNFSOHUMSRIK-UHFFFAOYSA-N
XLogP4.02
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42395294
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide
CID 26323678
3-(3-bromo-4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 55574875
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42241082
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
CID 25364429
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274
N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-phenylethyl)propanamide
CID 45352017
N-(3-ethoxypropyl)-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42458281
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide (CID 45212918) is N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is COc1ccc(CCc2nnc(CCC(=O)N(C)C(C)c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
The InChIKey is DSFNFSOHUMSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17(19-8-12-21(30-4)13-9-19)27(2)24(28)16-15-23-26-25-22(31-23)14-7-18-5-10-20(29-3)11-6-18/h5-6,8-13,17H,7,14-16H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide?
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide has a molecular weight of 423.51 g/mol, XLogP of 4.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 45212918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).