N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide

C16H23N3O2 — CID 63763927

IUPACN-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESNc1cccc(NC(=O)CCN2C3CCC2CC(O)C3)c1
InChIInChI=1S/C16H23N3O2/c17-11-2-1-3-12(8-11)18-16(21)6-7-19-13-4-5-14(19)10-15(20)9-13/h1-3,8,13-15,20H,4-7,9-10,17H2,(H,18,21)
InChIKeyQGQRWNIANBNBCB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds4

About N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide

N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide (PubChem CID 63763927) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
PubChem CID63763927
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
SMILESNc1cccc(NC(=O)CCN2C3CCC2CC(O)C3)c1
InChIInChI=1S/C16H23N3O2/c17-11-2-1-3-12(8-11)18-16(21)6-7-19-13-4-5-14(19)10-15(20)9-13/h1-3,8,13-15,20H,4-7,9-10,17H2,(H,18,21)
InChIKeyQGQRWNIANBNBCB-UHFFFAOYSA-N
XLogP1.59
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-phenylacetamide
CID 55237220
N-(3-aminophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
CID 16792770
N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114592196
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3-aminophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 16793646
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 166276577
N-(3-aminophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79665814
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide (CID 63763927) is N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide is Nc1cccc(NC(=O)CCN2C3CCC2CC(O)C3)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
The InChIKey is QGQRWNIANBNBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-11-2-1-3-12(8-11)18-16(21)6-7-19-13-4-5-14(19)10-15(20)9-13/h1-3,8,13-15,20H,4-7,9-10,17H2,(H,18,21).
What are the key properties of N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide?
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide is sourced from PubChem (CID 63763927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).