3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide

C16H22N2O2 — CID 61308781

IUPAC3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H22N2O2/c17-16(19)7-8-20-14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H2,17,19)
InChIKeyYYMNPHPOSBLHCG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds6

About 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide

3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide (PubChem CID 61308781) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
PubChem CID61308781
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C16H22N2O2/c17-16(19)7-8-20-14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H2,17,19)
InChIKeyYYMNPHPOSBLHCG-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
CID 61308415
N-(4-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55194098
3-[4-[(2-methylthiolan-3-yl)amino]phenoxy]propanamide
CID 102671085
N-(4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310327
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
CID 61309160
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
CID 79558066

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide (CID 61308781) is 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide is NC(=O)CCOc1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide?
The InChIKey is YYMNPHPOSBLHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(19)7-8-20-14-5-3-13(4-6-14)18-15-10-11-1-2-12(15)9-11/h3-6,11-12,15,18H,1-2,7-10H2,(H2,17,19).
What are the key properties of 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide?
3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide is sourced from PubChem (CID 61308781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).