N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

C14H19N3O2 — CID 66393018

IUPACN-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESNc1ccccc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19N3O2/c15-12-3-1-2-4-13(12)16-14(18)9-17-7-10-5-6-11(8-17)19-10/h1-4,10-11H,5-9,15H2,(H,16,18)
InChIKeyOWBMUVWKZSIUSH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds3

About N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide

N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 66393018) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID66393018
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESNc1ccccc1NC(=O)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H19N3O2/c15-12-3-1-2-4-13(12)16-14(18)9-17-7-10-5-6-11(8-17)19-10/h1-4,10-11H,5-9,15H2,(H,16,18)
InChIKeyOWBMUVWKZSIUSH-UHFFFAOYSA-N
XLogP1.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66391472
N-(2-aminophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81463910
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430147
N-(2-aminophenyl)-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 43592397
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
N-(2-aminophenyl)-2-bromoacetamide
CID 89401895
1-(2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66393870
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(2-aminophenyl)acetamide
CID 82746693
2-(2-aminoanilino)-2-oxoethanesulfinic acid
CID 175416485
N-(2-aminophenyl)-2-cyclopentylsulfanylacetamide
CID 63114529
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 66393018) is N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is Nc1ccccc1NC(=O)CN1CC2CCC(C1)O2.
What is the InChIKey of N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is OWBMUVWKZSIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12-3-1-2-4-13(12)16-14(18)9-17-7-10-5-6-11(8-17)19-10/h1-4,10-11H,5-9,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 66393018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).