N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide

C26H34ClN3O2 — CID 68902207

IUPACN'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C26H34ClN3O2/c1-19-8-10-20(11-9-19)18-26(30(2)3)16-14-21(15-17-26)28-24(31)12-13-25(32)29-23-7-5-4-6-22(23)27/h4-11,21H,12-18H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBCBFOZXPLZPMTF-UHFFFAOYSA-N
MW456.03 g/mol
LogP4.97
Rot. Bonds8

About N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide

N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide (PubChem CID 68902207) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide
PubChem CID68902207
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC NameN'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide
SMILESCc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C26H34ClN3O2/c1-19-8-10-20(11-9-19)18-26(30(2)3)16-14-21(15-17-26)28-24(31)12-13-25(32)29-23-7-5-4-6-22(23)27/h4-11,21H,12-18H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBCBFOZXPLZPMTF-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]butanediamide
CID 87617114
N'-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]-N-[2-(4-fluorophenyl)ethyl]butanediamide
CID 11503701
N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]propanamide
CID 91455018
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
CID 34969253
N'-benzyl-N-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]-N'-methylbutanediamide
CID 66621119
N-[2-(4-chlorophenyl)ethyl]-N'-[4-[(3-chlorophenyl)methyl]-4-(dimethylamino)cyclohexyl]butanediamide
CID 66621254
N'-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-N-[(4-methoxyphenyl)methyl]butanediamide
CID 11634099
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]-4-oxobutanamide
CID 66621500
N'-(2-chlorophenyl)-N-cyclopentylpropanediamide
CID 108942228
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide (CID 68902207) is N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide is Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide?
The InChIKey is BCBFOZXPLZPMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c1-19-8-10-20(11-9-19)18-26(30(2)3)16-14-21(15-17-26)28-24(31)12-13-25(32)29-23-7-5-4-6-22(23)27/h4-11,21H,12-18H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide?
N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide has a molecular weight of 456.03 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[4-(dimethylamino)-4-[(4-methylphenyl)methyl]cyclohexyl]butanediamide is sourced from PubChem (CID 68902207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).