N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide

C21H22N4O3 — CID 50780544

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)cc3C)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-4-19-24-20(25-28-19)15-6-8-16(9-7-15)21(27)22-12-18(26)23-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyXIZYWAKSTVTHFF-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 50780544) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID50780544
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)cc3C)cc2)no1
InChIInChI=1S/C21H22N4O3/c1-4-19-24-20(25-28-19)15-6-8-16(9-7-15)21(27)22-12-18(26)23-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyXIZYWAKSTVTHFF-UHFFFAOYSA-N
XLogP3.28
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]benzamide
CID 50780617
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)propanamide
CID 100759349
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
N-(2,4-dimethylphenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 17101412
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 50767260
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-(2,4-dimethylphenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2981927
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(dimethylsulfamoyl)benzamide
CID 112996377
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide (CID 50780544) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide is CCc1nc(-c2ccc(C(=O)NCC(=O)Nc3ccc(C)cc3C)cc2)no1.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is XIZYWAKSTVTHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-4-19-24-20(25-28-19)15-6-8-16(9-7-15)21(27)22-12-18(26)23-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 50780544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).