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

C18H26ClN3O2 — CID 119735821

IUPACN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-17(22)20-13-3-5-14(6-4-13)21-18(23)11-12-9-15-7-8-16(10-12)19-15;/h3-6,12,15-16,19H,2,7-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMHHIEDHELOCHBJ-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.32
Rot. Bonds5

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

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride (PubChem CID 119735821) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
PubChem CID119735821
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-2-17(22)20-13-3-5-14(6-4-13)21-18(23)11-12-9-15-7-8-16(10-12)19-15;/h3-6,12,15-16,19H,2,7-11H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyMHHIEDHELOCHBJ-UHFFFAOYSA-N
XLogP3.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
CID 79609820
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
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738252
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
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride?
The IUPAC name of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride (CID 119735821) is N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.Cl.
What is the InChIKey of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride?
The InChIKey is MHHIEDHELOCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-2-17(22)20-13-3-5-14(6-4-13)21-18(23)11-12-9-15-7-8-16(10-12)19-15;/h3-6,12,15-16,19H,2,7-11H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride?
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 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]propanamide;hydrochloride is sourced from PubChem (CID 119735821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).