N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide

C16H23N3O — CID 105364117

IUPACN-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H23N3O/c1-2-16(20)18-14-5-3-13(4-6-14)17-15-8-10-19-9-7-12(15)11-19/h3-6,12,15,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyNVQBHELAWBPCON-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds4

About N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide

N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide (PubChem CID 105364117) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
PubChem CID105364117
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCN3CCC2C3)cc1
InChIInChI=1S/C16H23N3O/c1-2-16(20)18-14-5-3-13(4-6-14)17-15-8-10-19-9-7-12(15)11-19/h3-6,12,15,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyNVQBHELAWBPCON-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-ethylbenzamide
CID 105364171
2-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]-N,N-dimethylacetamide
CID 105364118
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
CID 82726862
[4-(1-azabicyclo[2.2.2]octan-3-ylamino)phenyl]urea
CID 43745037
N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
CID 102671123
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
N-(1-azabicyclo[3.3.1]nonan-4-yl)propanamide
CID 130934342
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-[4-[(2,2-dimethylcyclopentyl)amino]phenyl]propanamide
CID 79860812

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide?
The IUPAC name of N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide (CID 105364117) is N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide.
What is the SMILES notation for N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide?
The canonical SMILES for N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCN3CCC2C3)cc1.
What is the InChIKey of N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide?
The InChIKey is NVQBHELAWBPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-16(20)18-14-5-3-13(4-6-14)17-15-8-10-19-9-7-12(15)11-19/h3-6,12,15,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide?
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide is sourced from PubChem (CID 105364117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).