N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

C20H20N4O5 — CID 9426428

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C20H20N4O5/c1-23(12-17(25)21-15-8-10-16(28-2)11-9-15)18(26)13-24-20(27)29-19(22-24)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyAPDHGAOGRIDLLP-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.61
Rot. Bonds7

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (PubChem CID 9426428) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
PubChem CID9426428
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C20H20N4O5/c1-23(12-17(25)21-15-8-10-16(28-2)11-9-15)18(26)13-24-20(27)29-19(22-24)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyAPDHGAOGRIDLLP-UHFFFAOYSA-N
XLogP1.61
TPSA106.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 8620936
2-[ethyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 17465917
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylsulfanylpropanamide
CID 9438819
2-[(2-benzylsulfanylacetyl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9438577
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721632
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
N-(4-bromo-3-methylphenyl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46420592
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
4-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 27040218

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide (CID 9426428) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is COc1ccc(NC(=O)CN(C)C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
The InChIKey is APDHGAOGRIDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-23(12-17(25)21-15-8-10-16(28-2)11-9-15)18(26)13-24-20(27)29-19(22-24)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide has a molecular weight of 396.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 9426428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).