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

C15H21N3O2 — CID 66391472

IUPACN-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC3CCC(C2)O3)c(N)c1
InChIInChI=1S/C15H21N3O2/c1-10-2-5-14(13(16)6-10)17-15(19)9-18-7-11-3-4-12(8-18)20-11/h2,5-6,11-12H,3-4,7-9,16H2,1H3,(H,17,19)
InChIKeyMIQVSRHRUQEYAR-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.38
Rot. Bonds3

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

N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 66391472) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID66391472
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CC3CCC(C2)O3)c(N)c1
InChIInChI=1S/C15H21N3O2/c1-10-2-5-14(13(16)6-10)17-15(19)9-18-7-11-3-4-12(8-18)20-11/h2,5-6,11-12H,3-4,7-9,16H2,1H3,(H,17,19)
InChIKeyMIQVSRHRUQEYAR-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.38
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-aminophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 66393018
N-(2-amino-4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505292
N-(2-amino-4-methylphenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]acetamide
CID 81452037
N-(2-amino-4-methylphenyl)-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 43375794
N-(2-amino-4-methylphenyl)-2-(3,5-dioxomorpholin-4-yl)acetamide
CID 61311165
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683929

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 66391472) is N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is Cc1ccc(NC(=O)CN2CC3CCC(C2)O3)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is MIQVSRHRUQEYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-2-5-14(13(16)6-10)17-15(19)9-18-7-11-3-4-12(8-18)20-11/h2,5-6,11-12H,3-4,7-9,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 66391472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).