2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide

C17H25N3O — CID 105364118

IUPAC2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C17H25N3O/c1-19(2)17(21)11-13-3-5-15(6-4-13)18-16-8-10-20-9-7-14(16)12-20/h3-6,14,16,18H,7-12H2,1-2H3
InChIKeyBBIKAPUJSUIACL-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds4

About 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide

2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide (PubChem CID 105364118) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
PubChem CID105364118
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C17H25N3O/c1-19(2)17(21)11-13-3-5-15(6-4-13)18-16-8-10-20-9-7-14(16)12-20/h3-6,14,16,18H,7-12H2,1-2H3
InChIKeyBBIKAPUJSUIACL-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
2-[4-[(2,4-dimethylcyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 64761637
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
CID 75398577
4-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenol
CID 105364646
N,N-dimethyl-2-[4-(piperidin-4-ylmethylamino)phenyl]acetamide
CID 79707370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide (CID 105364118) is 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(NC2CCN3CCC2C3)cc1.
What is the InChIKey of 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide?
The InChIKey is BBIKAPUJSUIACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)17(21)11-13-3-5-15(6-4-13)18-16-8-10-20-9-7-14(16)12-20/h3-6,14,16,18H,7-12H2,1-2H3.
What are the key properties of 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide?
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide has a molecular weight of 287.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 105364118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).