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

C29H32N4O3 — CID 10370874

IUPACN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C
InChIInChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34)
InChIKeyIDZNHGXBYKUAJJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.78
Rot. Bonds9

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

N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 10370874) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID10370874
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C
InChIInChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34)
InChIKeyIDZNHGXBYKUAJJ-UHFFFAOYSA-N
XLogP5.78
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
CID 107780
SB 216641
CID 3292447
2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
SB 224289
CID 3378093
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 665754
N-[7-[2-(dimethylamino)ethoxy]-2,3-dihydro-1-benzofuran-5-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10577268
N-[4-(2-fluoroethoxy)-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10578117
N-[3-[2-(dimethylamino)ethylamino]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10624768
N-[4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 10791443
2''-Methyl-4''-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-carboxylic acid [2,3-Dihydro-1''-methylspiro(benzofuran-3,4''-piperidine)]-amide
CID 10838923
SB 224289 hydrochloride
CID 11226716

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 10370874) is N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1CCCN(C)C.
What is the InChIKey of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is IDZNHGXBYKUAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34).
What are the key properties of N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propyl]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 10370874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).