N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C22H26N4O2 — CID 46684416

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CCNC(=O)CCc1nc(-c2ccccc2)no1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O2/c1-3-26(19-11-7-8-17(2)16-19)15-14-23-20(27)12-13-21-24-22(25-28-21)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyCUIAMVNNVPTXGG-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.62
Rot. Bonds9

About N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46684416) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46684416
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CCNC(=O)CCc1nc(-c2ccccc2)no1)c1cccc(C)c1
InChIInChI=1S/C22H26N4O2/c1-3-26(19-11-7-8-17(2)16-19)15-14-23-20(27)12-13-21-24-22(25-28-21)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyCUIAMVNNVPTXGG-UHFFFAOYSA-N
XLogP3.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(N-ethylanilino)propyl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55924101
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-butyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101299
N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
N-(2,2-dimethylpropyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758647
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 55925508
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
N-[2-(2-fluorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9474336
N-[3-(3-methylphenoxy)propyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 24525020

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 46684416) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CCNC(=O)CCc1nc(-c2ccccc2)no1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CUIAMVNNVPTXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-26(19-11-7-8-17(2)16-19)15-14-23-20(27)12-13-21-24-22(25-28-21)18-9-5-4-6-10-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 378.48 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46684416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).