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

C17H25N3O — CID 43672871

IUPACN-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C17H25N3O/c1-11-8-13(4-7-17(11)18-12(2)21)19-14-9-15-5-6-16(10-14)20(15)3/h4,7-8,14-16,19H,5-6,9-10H2,1-3H3,(H,18,21)
InChIKeyZMYIUGJWUJTXQW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.99
Rot. Bonds3

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

N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide (PubChem CID 43672871) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
PubChem CID43672871
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C17H25N3O/c1-11-8-13(4-7-17(11)18-12(2)21)19-14-9-15-5-6-16(10-14)20(15)3/h4,7-8,14-16,19H,5-6,9-10H2,1-3H3,(H,18,21)
InChIKeyZMYIUGJWUJTXQW-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide (CID 43672871) is N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CC3CCC(C2)N3C)cc1C.
What is the InChIKey of N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide?
The InChIKey is ZMYIUGJWUJTXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-8-13(4-7-17(11)18-12(2)21)19-14-9-15-5-6-16(10-14)20(15)3/h4,7-8,14-16,19H,5-6,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide?
N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 43672871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).