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

C24H22N4O2 — CID 24607474

IUPACN-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-28(21-10-6-3-7-11-21)17-16-25-22(29)18-12-14-20(15-13-18)24-27-26-23(30-24)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyVXGYWCFJNRASSZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.27
Rot. Bonds7

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

N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24607474) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24607474
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1
InChIInChI=1S/C24H22N4O2/c1-28(21-10-6-3-7-11-21)17-16-25-22(29)18-12-14-20(15-13-18)24-27-26-23(30-24)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKeyVXGYWCFJNRASSZ-UHFFFAOYSA-N
XLogP4.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
N-[2-[di(propan-2-yl)amino]ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 17480200
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 36941546
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
5-methyl-N-[2-(N-methylanilino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 24552817
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-(5-benzyl-1,3,4-oxadiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 21108809
6-bromo-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 66462506
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24607474) is N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CN(CCNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is VXGYWCFJNRASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28(21-10-6-3-7-11-21)17-16-25-22(29)18-12-14-20(15-13-18)24-27-26-23(30-24)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,25,29).
What are the key properties of N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24607474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).