4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C24H28N4O4 — CID 86938363

IUPAC4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)NC(c3nc(C)no3)C(C)C)cc2)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22(24-26-16(3)28-32-24)27-23(30)19-9-5-18(6-10-19)14-25-21(29)13-17-7-11-20(31-4)12-8-17/h5-12,15,22H,13-14H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyWLKDVCKUKPTFLM-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.37
Rot. Bonds9

About 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 86938363) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID86938363
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)NC(c3nc(C)no3)C(C)C)cc2)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)22(24-26-16(3)28-32-24)27-23(30)19-9-5-18(6-10-19)14-25-21(29)13-17-7-11-20(31-4)12-8-17/h5-12,15,22H,13-14H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyWLKDVCKUKPTFLM-UHFFFAOYSA-N
XLogP3.37
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide with MolForge

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Related Compounds

4-methoxy-N-[2-methyl-1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]propyl]benzamide;hydrochloride
CID 120865524
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-methoxybenzamide
CID 120859450
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]naphthalene-1-carboxamide
CID 118984652
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 86938363) is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is COc1ccc(CC(=O)NCc2ccc(C(=O)NC(c3nc(C)no3)C(C)C)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is WLKDVCKUKPTFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)22(24-26-16(3)28-32-24)27-23(30)19-9-5-18(6-10-19)14-25-21(29)13-17-7-11-20(31-4)12-8-17/h5-12,15,22H,13-14H2,1-4H3,(H,25,29)(H,27,30).
What are the key properties of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 86938363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).