N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide

C18H26N2O3 — CID 53236223

IUPACN-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C18H26N2O3/c1-22-13-18(21)19-15-6-8-16(9-7-15)23-11-3-10-20-12-14-4-2-5-17(14)20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyYBGNKPWFACPLHS-RHSMWYFYSA-N
MW318.42 g/mol
LogP2.52
Rot. Bonds8

About N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide

N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide (PubChem CID 53236223) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
PubChem CID53236223
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C18H26N2O3/c1-22-13-18(21)19-15-6-8-16(9-7-15)23-11-3-10-20-12-14-4-2-5-17(14)20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,21)/t14-,17-/m1/s1
InChIKeyYBGNKPWFACPLHS-RHSMWYFYSA-N
XLogP2.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.52
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-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-2-methoxyacetamide
CID 69062946
N-[4-[4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]butoxy]phenyl]-2-methoxyacetamide
CID 67234774
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
N-[4-[3-(3-azabicyclo[3.2.0]heptan-3-yl)propoxy]phenyl]propanamide
CID 123608780
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
CID 61277783
2-(cyclohexylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54816663
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 60758701
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide (CID 53236223) is N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1.
What is the InChIKey of N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide?
The InChIKey is YBGNKPWFACPLHS-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-13-18(21)19-15-6-8-16(9-7-15)23-11-3-10-20-12-14-4-2-5-17(14)20/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,21)/t14-,17-/m1/s1.
What are the key properties of N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide?
N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide has a molecular weight of 318.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 53236223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).