2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride

C25H35ClN2O — CID 11517237

IUPAC2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(CC(=O)NCCCc2ccccc2)CC1.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-27(2)25(23-13-7-4-8-14-23)17-15-22(16-18-25)20-24(28)26-19-9-12-21-10-5-3-6-11-21;/h3-8,10-11,13-14,22H,9,12,15-20H2,1-2H3,(H,26,28);1H
InChIKeyJKHUAAVDCKVKTP-UHFFFAOYSA-N
MW415.02 g/mol
LogP5.19
Rot. Bonds8

About 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride

2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride (PubChem CID 11517237) has the molecular formula C25H35ClN2O and a molecular weight of 415.02 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride
PubChem CID11517237
Molecular FormulaC25H35ClN2O
Molecular Weight415.02 g/mol
Exact Mass414.24
IUPAC Name2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(CC(=O)NCCCc2ccccc2)CC1.Cl
InChIInChI=1S/C25H34N2O.ClH/c1-27(2)25(23-13-7-4-8-14-23)17-15-22(16-18-25)20-24(28)26-19-9-12-21-10-5-3-6-11-21;/h3-8,10-11,13-14,22H,9,12,15-20H2,1-2H3,(H,26,28);1H
InChIKeyJKHUAAVDCKVKTP-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.02
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride 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

2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(4-fluorophenyl)acetamide;2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-phenylacetamide;trihydrochloride
CID 162048374
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
1-N,1-N-dimethyl-1-phenylcyclohexane-1,4-diamine;hydrochloride
CID 68895646
2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
CID 74925241
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride (CID 11517237) is 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride is CN(C)C1(c2ccccc2)CCC(CC(=O)NCCCc2ccccc2)CC1.Cl.
What is the InChIKey of 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride?
The InChIKey is JKHUAAVDCKVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O.ClH/c1-27(2)25(23-13-7-4-8-14-23)17-15-22(16-18-25)20-24(28)26-19-9-12-21-10-5-3-6-11-21;/h3-8,10-11,13-14,22H,9,12,15-20H2,1-2H3,(H,26,28);1H.
What are the key properties of 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride?
2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride has a molecular weight of 415.02 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 11517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).