4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide

C24H31N3O2 — CID 109148333

IUPAC4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-8,13-16,19-20H,9-12,17H2,1-3H3,(H,25,28)
InChIKeyFVXYSPHSJGCDFB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.16
Rot. Bonds6

About 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109148333) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109148333
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-8,13-16,19-20H,9-12,17H2,1-3H3,(H,25,28)
InChIKeyFVXYSPHSJGCDFB-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109148333) is 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide is CN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is FVXYSPHSJGCDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)19-9-11-20(12-10-19)24(29)27(3)17-18-7-5-4-6-8-18/h4-8,13-16,19-20H,9-12,17H2,1-3H3,(H,25,28).
What are the key properties of 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).