2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C17H24N2O2 — CID 110862088

IUPAC2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(13-14-7-11-21-12-8-14)18-15-3-5-16(6-4-15)19-9-1-2-10-19/h3-6,14H,1-2,7-13H2,(H,18,20)
InChIKeyTYWLDLMWXZNQFJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.04
Rot. Bonds4

About 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110862088) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110862088
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(13-14-7-11-21-12-8-14)18-15-3-5-16(6-4-15)19-9-1-2-10-19/h3-6,14H,1-2,7-13H2,(H,18,20)
InChIKeyTYWLDLMWXZNQFJ-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
2-cyclobutyl-N-(4-piperazin-1-ylphenyl)acetamide
CID 103162243
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42335959
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 110862088) is 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CC1CCOCC1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is TYWLDLMWXZNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(13-14-7-11-21-12-8-14)18-15-3-5-16(6-4-15)19-9-1-2-10-19/h3-6,14H,1-2,7-13H2,(H,18,20).
What are the key properties of 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110862088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).