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

C23H27N3O4 — CID 55593250

IUPACN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)C(C)c1cccc(OC)c1
InChIInChI=1S/C23H27N3O4/c1-5-26(16(2)18-7-6-8-20(15-18)29-4)22(27)14-13-21-24-23(25-30-21)17-9-11-19(28-3)12-10-17/h6-12,15-16H,5,13-14H2,1-4H3
InChIKeyNJBFEEQEFRWQMT-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.30
Rot. Bonds9

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

N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 55593250) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID55593250
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)C(C)c1cccc(OC)c1
InChIInChI=1S/C23H27N3O4/c1-5-26(16(2)18-7-6-8-20(15-18)29-4)22(27)14-13-21-24-23(25-30-21)17-9-11-19(28-3)12-10-17/h6-12,15-16H,5,13-14H2,1-4H3
InChIKeyNJBFEEQEFRWQMT-UHFFFAOYSA-N
XLogP4.30
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(3-hydroxyphenyl)ethyl]propanamide
CID 71864218
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-[1-(2-bromophenyl)ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutanamide
CID 55881198
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35347663
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46587836
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760240
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46477015
3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 83281075
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
N-[1-(1-benzofuran-2-yl)ethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 46588483
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]propanamide
CID 27336067

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 55593250) is N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)C(C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NJBFEEQEFRWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-5-26(16(2)18-7-6-8-20(15-18)29-4)22(27)14-13-21-24-23(25-30-21)17-9-11-19(28-3)12-10-17/h6-12,15-16H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 409.49 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 55593250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).