N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide

C18H25FN2O2 — CID 167971154

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CC3(OC(C)C)CC2C3)cc1F
InChIInChI=1S/C18H25FN2O2/c1-12(2)23-18-7-15(8-18)21(11-18)10-17(22)20-9-14-5-4-13(3)16(19)6-14/h4-6,12,15H,7-11H2,1-3H3,(H,20,22)
InChIKeyAEMHIAUEKXEXKJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.39
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide (PubChem CID 167971154) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide
PubChem CID167971154
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CC3(OC(C)C)CC2C3)cc1F
InChIInChI=1S/C18H25FN2O2/c1-12(2)23-18-7-15(8-18)21(11-18)10-17(22)20-9-14-5-4-13(3)16(19)6-14/h4-6,12,15H,7-11H2,1-3H3,(H,20,22)
InChIKeyAEMHIAUEKXEXKJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide (CID 167971154) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide is Cc1ccc(CNC(=O)CN2CC3(OC(C)C)CC2C3)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide?
The InChIKey is AEMHIAUEKXEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)23-18-7-15(8-18)21(11-18)10-17(22)20-9-14-5-4-13(3)16(19)6-14/h4-6,12,15H,7-11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide has a molecular weight of 320.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-propan-2-yloxy-2-azabicyclo[2.1.1]hexan-2-yl)acetamide is sourced from PubChem (CID 167971154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).