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

C19H28N2O3 — CID 69062946

IUPACN-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCN2CC3CCCC3C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-10-21-12-15-4-2-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyKNPCUWGQGLBGDO-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.77
Rot. Bonds8

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

N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide (PubChem CID 69062946) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
PubChem CID69062946
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCN2CC3CCCC3C2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-10-21-12-15-4-2-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22)
InChIKeyKNPCUWGQGLBGDO-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
CID 67234774
N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
CID 53236223
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzaldehyde
CID 172730265
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-cyclopentyl-N-ethylbenzamide;oxalic acid
CID 69065089
[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
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide (CID 69062946) is N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OCCCN2CC3CCCC3C2)cc1.
What is the InChIKey of N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide?
The InChIKey is KNPCUWGQGLBGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-14-19(22)20-17-6-8-18(9-7-17)24-11-3-10-21-12-15-4-2-5-16(15)13-21/h6-9,15-16H,2-5,10-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide?
N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide has a molecular weight of 332.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 69062946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).