N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride

C20H32Cl2N4O2 — CID 119868270

IUPACN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-24(2)10-9-19(25)22-15-3-5-16(6-4-15)23-20(26)13-14-11-17-7-8-18(12-14)21-17;;/h3-6,14,17-18,21H,7-13H2,1-2H3,(H,22,25)(H,23,26);2*1H
InChIKeyRDJGVNZOYSTUMT-UHFFFAOYSA-N
MW431.41 g/mol
LogP3.28
Rot. Bonds7

About N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride (PubChem CID 119868270) has the molecular formula C20H32Cl2N4O2 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
PubChem CID119868270
Molecular FormulaC20H32Cl2N4O2
Molecular Weight431.41 g/mol
Exact Mass430.19
IUPAC NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-24(2)10-9-19(25)22-15-3-5-16(6-4-15)23-20(26)13-14-11-17-7-8-18(12-14)21-17;;/h3-6,14,17-18,21H,7-13H2,1-2H3,(H,22,25)(H,23,26);2*1H
InChIKeyRDJGVNZOYSTUMT-UHFFFAOYSA-N
XLogP3.28
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride with MolForge

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Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
3-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenoxy]propanamide;hydrochloride
CID 119733587
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-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119668960
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119685749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-pyridin-4-yloxyphenyl)acetamide;dihydrochloride
CID 119867854
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 119740957
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride (CID 119868270) is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride is CN(C)CCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl.Cl.
What is the InChIKey of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
The InChIKey is RDJGVNZOYSTUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.2ClH/c1-24(2)10-9-19(25)22-15-3-5-16(6-4-15)23-20(26)13-14-11-17-7-8-18(12-14)21-17;;/h3-6,14,17-18,21H,7-13H2,1-2H3,(H,22,25)(H,23,26);2*1H.
What are the key properties of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride?
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119868270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).