2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide

C15H20N2O2 — CID 61308415

IUPAC2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20N2O2/c16-15(18)9-19-13-5-3-12(4-6-13)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14,17H,1-2,7-9H2,(H2,16,18)
InChIKeyQKNXBDYYJRUPMK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide

2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide (PubChem CID 61308415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
PubChem CID61308415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
SMILESNC(=O)COc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C15H20N2O2/c16-15(18)9-19-13-5-3-12(4-6-13)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14,17H,1-2,7-9H2,(H2,16,18)
InChIKeyQKNXBDYYJRUPMK-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
CID 61308781
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
CID 79461446
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
2-[4-[(3-propan-2-ylcyclobutyl)amino]phenoxy]acetamide
CID 103561296
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
CID 62708775
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide (CID 61308415) is 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide is NC(=O)COc1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide?
The InChIKey is QKNXBDYYJRUPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-15(18)9-19-13-5-3-12(4-6-13)17-14-8-10-1-2-11(14)7-10/h3-6,10-11,14,17H,1-2,7-9H2,(H2,16,18).
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide?
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide is sourced from PubChem (CID 61308415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).