2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide

C20H29N3O2 — CID 87016434

IUPAC2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H29N3O2/c1-23(15-18-10-8-17(14-21)9-11-18)16-20(24)22-12-5-13-25-19-6-3-2-4-7-19/h8-11,19H,2-7,12-13,15-16H2,1H3,(H,22,24)
InChIKeyTWLRHXBLJAFKCI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.85
Rot. Bonds9

About 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide

2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide (PubChem CID 87016434) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
PubChem CID87016434
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
SMILESCN(CC(=O)NCCCOC1CCCCC1)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H29N3O2/c1-23(15-18-10-8-17(14-21)9-11-18)16-20(24)22-12-5-13-25-19-6-3-2-4-7-19/h8-11,19H,2-7,12-13,15-16H2,1H3,(H,22,24)
InChIKeyTWLRHXBLJAFKCI-UHFFFAOYSA-N
XLogP2.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide 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

4-[[[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 60503006
2-(4-cyanophenoxy)-N-(3-cyclohexyloxypropyl)propanamide
CID 51222307
N-(3-cyclohexyloxypropyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetamide
CID 87014178
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
4-acetyl-3-(3-cyclohexyloxypropylamino)benzonitrile
CID 75452823
N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 87017395
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
4-(3-cycloheptyloxypropoxy)benzonitrile
CID 61070271
N-(3-cyclohexyloxypropyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 30219122

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide (CID 87016434) is 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide is CN(CC(=O)NCCCOC1CCCCC1)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide?
The InChIKey is TWLRHXBLJAFKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-23(15-18-10-8-17(14-21)9-11-18)16-20(24)22-12-5-13-25-19-6-3-2-4-7-19/h8-11,19H,2-7,12-13,15-16H2,1H3,(H,22,24).
What are the key properties of 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide?
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide is sourced from PubChem (CID 87016434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).