4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide

C15H20N2O2 — CID 67234428

IUPAC4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2CC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C15H20N2O2/c16-15(18)11-2-4-13(5-3-11)19-9-1-7-17-8-6-12-10-14(12)17/h2-5,12,14H,1,6-10H2,(H2,16,18)/t12-,14+/m1/s1
InChIKeyZTWAPARMYKEFFT-OCCSQVGLSA-N
MW260.34 g/mol
LogP1.65
Rot. Bonds6

About 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide

4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide (PubChem CID 67234428) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
PubChem CID67234428
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2CC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C15H20N2O2/c16-15(18)11-2-4-13(5-3-11)19-9-1-7-17-8-6-12-10-14(12)17/h2-5,12,14H,1,6-10H2,(H2,16,18)/t12-,14+/m1/s1
InChIKeyZTWAPARMYKEFFT-OCCSQVGLSA-N
XLogP1.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.65
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

4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzoic acid
CID 67234518
4-[3-(2-azabicyclo[3.1.0]hexan-2-yl)propoxy]benzoyl chloride
CID 89123797
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzoic acid
CID 67236243
4-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propoxy]benzamide
CID 91839674
[1-[3-(4-fluorophenoxy)propyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
CID 12685674
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-[(3aS,6aS)-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-1-yl]propoxy]-N-methylbenzamide
CID 53237196

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide (CID 67234428) is 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide is NC(=O)c1ccc(OCCCN2CC[C@@H]3C[C@@H]32)cc1.
What is the InChIKey of 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide?
The InChIKey is ZTWAPARMYKEFFT-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(18)11-2-4-13(5-3-11)19-9-1-7-17-8-6-12-10-14(12)17/h2-5,12,14H,1,6-10H2,(H2,16,18)/t12-,14+/m1/s1.
What are the key properties of 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide?
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide is sourced from PubChem (CID 67234428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).