3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride

C18H26ClN3O3 — CID 119733587

IUPAC3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H25N3O3.ClH/c19-17(22)7-8-24-16-5-3-13(4-6-16)21-18(23)11-12-9-14-1-2-15(10-12)20-14;/h3-6,12,14-15,20H,1-2,7-11H2,(H2,19,22)(H,21,23);1H
InChIKeyYSEINTLFRBWDNH-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.22
Rot. Bonds7

About 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride

3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride (PubChem CID 119733587) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride.

Molecular Properties

Compound Name3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
PubChem CID119733587
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H25N3O3.ClH/c19-17(22)7-8-24-16-5-3-13(4-6-16)21-18(23)11-12-9-14-1-2-15(10-12)20-14;/h3-6,12,14-15,20H,1-2,7-11H2,(H2,19,22)(H,21,23);1H
InChIKeyYSEINTLFRBWDNH-UHFFFAOYSA-N
XLogP2.22
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride 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

3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
CID 119733584
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 119841224
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119867855
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
CID 119745749
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride?
The IUPAC name of 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride (CID 119733587) is 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride.
What is the SMILES notation for 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride?
The canonical SMILES for 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride is Cl.NC(=O)CCOc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride?
The InChIKey is YSEINTLFRBWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c19-17(22)7-8-24-16-5-3-13(4-6-16)21-18(23)11-12-9-14-1-2-15(10-12)20-14;/h3-6,12,14-15,20H,1-2,7-11H2,(H2,19,22)(H,21,23);1H.
What are the key properties of 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride?
3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride is sourced from PubChem (CID 119733587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).