N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide

C22H24N4O4 — CID 32766350

IUPACN,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-26(5-2)22(28)17-6-10-18(11-7-17)24-21(27)16-8-12-19(13-9-16)29-14-20-23-15(3)30-25-20/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyZZNWFXIHMHJORF-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.69
Rot. Bonds8

About N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide

N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide (PubChem CID 32766350) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
PubChem CID32766350
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-26(5-2)22(28)17-6-10-18(11-7-17)24-21(27)16-8-12-19(13-9-16)29-14-20-23-15(3)30-25-20/h6-13H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyZZNWFXIHMHJORF-UHFFFAOYSA-N
XLogP3.69
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55908467
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899
7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 166393949
N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide (CID 32766350) is N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(OCc3noc(C)n3)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
The InChIKey is ZZNWFXIHMHJORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-26(5-2)22(28)17-6-10-18(11-7-17)24-21(27)16-8-12-19(13-9-16)29-14-20-23-15(3)30-25-20/h6-13H,4-5,14H2,1-3H3,(H,24,27).
What are the key properties of N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide?
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide has a molecular weight of 408.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide is sourced from PubChem (CID 32766350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).