N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

C30H31N3O3 — CID 31030404

IUPACN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)cc2C1=O
InChIInChI=1S/C30H31N3O3/c1-20-10-6-9-15-27(20)33-29(35)24-17-16-21(18-25(24)30(33)36)28(34)31-26-14-8-7-11-22(26)19-32(2)23-12-4-3-5-13-23/h6-11,14-18,23H,3-5,12-13,19H2,1-2H3,(H,31,34)
InChIKeyUIXIGWOQXZZYDP-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.81
Rot. Bonds6

About N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31030404) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID31030404
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)cc2C1=O
InChIInChI=1S/C30H31N3O3/c1-20-10-6-9-15-27(20)33-29(35)24-17-16-21(18-25(24)30(33)36)28(34)31-26-14-8-7-11-22(26)19-32(2)23-12-4-3-5-13-23/h6-11,14-18,23H,3-5,12-13,19H2,1-2H3,(H,31,34)
InChIKeyUIXIGWOQXZZYDP-UHFFFAOYSA-N
XLogP5.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]furan-3-carboxamide
CID 46554715
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-methylsulfinylbenzamide
CID 55552886
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 46448626
N-(4-hydroxyphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1364800
N-tert-butyl-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 4793298
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 17452883
N-[2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-2-oxoethyl]-3-methyl-4-nitrobenzamide
CID 112810272
N-(3-chloro-4-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7900395
N-(2-methylphenyl)-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 17362773

Frequently Asked Questions

What is the IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 31030404) is N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)cc2C1=O.
What is the InChIKey of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UIXIGWOQXZZYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-20-10-6-9-15-27(20)33-29(35)24-17-16-21(18-25(24)30(33)36)28(34)31-26-14-8-7-11-22(26)19-32(2)23-12-4-3-5-13-23/h6-11,14-18,23H,3-5,12-13,19H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).