2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide

C20H31N3O — CID 102555895

IUPAC2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
SMILESO=C(CN1CCC(Nc2ccccc2)C1)NC1CCCCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-18-11-5-2-1-3-6-12-18)16-23-14-13-19(15-23)21-17-9-7-4-8-10-17/h4,7-10,18-19,21H,1-3,5-6,11-16H2,(H,22,24)
InChIKeyNORFXGJFAAFXKP-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.40
Rot. Bonds5

About 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide

2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide (PubChem CID 102555895) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
PubChem CID102555895
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
SMILESO=C(CN1CCC(Nc2ccccc2)C1)NC1CCCCCCC1
InChIInChI=1S/C20H31N3O/c24-20(22-18-11-5-2-1-3-6-12-18)16-23-14-13-19(15-23)21-17-9-7-4-8-10-17/h4,7-10,18-19,21H,1-3,5-6,11-16H2,(H,22,24)
InChIKeyNORFXGJFAAFXKP-UHFFFAOYSA-N
XLogP3.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide 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

1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162
2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
CID 162078080
2-(3-anilinopyrrolidin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56500528
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide?
The IUPAC name of 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide (CID 102555895) is 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide?
The canonical SMILES for 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide is O=C(CN1CCC(Nc2ccccc2)C1)NC1CCCCCCC1.
What is the InChIKey of 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide?
The InChIKey is NORFXGJFAAFXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c24-20(22-18-11-5-2-1-3-6-12-18)16-23-14-13-19(15-23)21-17-9-7-4-8-10-17/h4,7-10,18-19,21H,1-3,5-6,11-16H2,(H,22,24).
What are the key properties of 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide?
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide has a molecular weight of 329.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide is sourced from PubChem (CID 102555895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).