2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

C16H22N2O2 — CID 80720551

IUPAC2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(C(=O)NC1CC2CCC1O2)c1ccc(N)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,10-3-5-11(17)6-4-10)15(19)18-13-9-12-7-8-14(13)20-12/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyOUEDNOFFMKGOJC-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.98
Rot. Bonds3

About 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide

2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (PubChem CID 80720551) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
PubChem CID80720551
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
SMILESCC(C)(C(=O)NC1CC2CCC1O2)c1ccc(N)cc1
InChIInChI=1S/C16H22N2O2/c1-16(2,10-3-5-11(17)6-4-10)15(19)18-13-9-12-7-8-14(13)20-12/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyOUEDNOFFMKGOJC-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide (CID 80720551) is 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is CC(C)(C(=O)NC1CC2CCC1O2)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
The InChIKey is OUEDNOFFMKGOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,10-3-5-11(17)6-4-10)15(19)18-13-9-12-7-8-14(13)20-12/h3-6,12-14H,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide?
2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide is sourced from PubChem (CID 80720551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).