2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide

C16H23N3O2 — CID 43711137

IUPAC2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
SMILESCN1C2CCC1CC(Nc1ccc(OCC(N)=O)cc1)C2
InChIInChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)9-12(8-13)18-11-2-6-15(7-3-11)21-10-16(17)20/h2-3,6-7,12-14,18H,4-5,8-10H2,1H3,(H2,17,20)
InChIKeyXPHUIVRNGNFMDU-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds5

About 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide

2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide (PubChem CID 43711137) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
PubChem CID43711137
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
SMILESCN1C2CCC1CC(Nc1ccc(OCC(N)=O)cc1)C2
InChIInChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)9-12(8-13)18-11-2-6-15(7-3-11)21-10-16(17)20/h2-3,6-7,12-14,18H,4-5,8-10H2,1H3,(H2,17,20)
InChIKeyXPHUIVRNGNFMDU-UHFFFAOYSA-N
XLogP1.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide (CID 43711137) is 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide is CN1C2CCC1CC(Nc1ccc(OCC(N)=O)cc1)C2.
What is the InChIKey of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide?
The InChIKey is XPHUIVRNGNFMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-13-4-5-14(19)9-12(8-13)18-11-2-6-15(7-3-11)21-10-16(17)20/h2-3,6-7,12-14,18H,4-5,8-10H2,1H3,(H2,17,20).
What are the key properties of 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide?
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide is sourced from PubChem (CID 43711137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).