4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide

C23H28N2O2 — CID 69063215

IUPAC4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CC3CCCC3C2)cc1
InChIInChI=1S/C23H28N2O2/c26-23(24-21-8-2-1-3-9-21)18-10-12-22(13-11-18)27-15-5-14-25-16-19-6-4-7-20(19)17-25/h1-3,8-13,19-20H,4-7,14-17H2,(H,24,26)
InChIKeyBBYVPAVMHLHETF-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds7

About 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide

4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide (PubChem CID 69063215) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
PubChem CID69063215
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(OCCCN2CC3CCCC3C2)cc1
InChIInChI=1S/C23H28N2O2/c26-23(24-21-8-2-1-3-9-21)18-10-12-22(13-11-18)27-15-5-14-25-16-19-6-4-7-20(19)17-25/h1-3,8-13,19-20H,4-7,14-17H2,(H,24,26)
InChIKeyBBYVPAVMHLHETF-UHFFFAOYSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
CID 69062946
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 69064086
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzaldehyde
CID 172730265
N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]quinolin-2-amine;oxalic acid
CID 162254934
4-[3-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzenecarboximidamide
CID 151361349
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 172785381
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
4-[3-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzonitrile
CID 71491125

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide?
The IUPAC name of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide (CID 69063215) is 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide.
What is the SMILES notation for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide?
The canonical SMILES for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(OCCCN2CC3CCCC3C2)cc1.
What is the InChIKey of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide?
The InChIKey is BBYVPAVMHLHETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-23(24-21-8-2-1-3-9-21)18-10-12-22(13-11-18)27-15-5-14-25-16-19-6-4-7-20(19)17-25/h1-3,8-13,19-20H,4-7,14-17H2,(H,24,26).
What are the key properties of 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide?
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide is sourced from PubChem (CID 69063215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).