N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

C20H31N3O — CID 22448118

IUPACN-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O/c24-20(16-21-12-15-23-13-4-5-14-23)22-19-10-8-18(9-11-19)17-6-2-1-3-7-17/h8-11,17,21H,1-7,12-16H2,(H,22,24)
InChIKeyTVEXDFIKUCEMGD-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.36
Rot. Bonds7

About N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 22448118) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID22448118
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O/c24-20(16-21-12-15-23-13-4-5-14-23)22-19-10-8-18(9-11-19)17-6-2-1-3-7-17/h8-11,17,21H,1-7,12-16H2,(H,22,24)
InChIKeyTVEXDFIKUCEMGD-UHFFFAOYSA-N
XLogP3.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)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

N-(4-cyclohexylphenyl)-2-(4-hydroxybutylamino)acetamide
CID 22448148
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-(4-cyclohexylphenyl)-2-(2,2-dimethoxyethylamino)acetamide
CID 22447984
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 22448118) is N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is O=C(CNCCN1CCCC1)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is TVEXDFIKUCEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(16-21-12-15-23-13-4-5-14-23)22-19-10-8-18(9-11-19)17-6-2-1-3-7-17/h8-11,17,21H,1-7,12-16H2,(H,22,24).
What are the key properties of N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 22448118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).