2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride

C15H28ClN3O2 — CID 119744167

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)NC)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-6-18(10-14(19)16-2)15(20)9-11-7-12-4-5-13(8-11)17-12;/h11-13,17H,3-10H2,1-2H3,(H,16,19);1H
InChIKeyVKERWNPERKLDON-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.31
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride (PubChem CID 119744167) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
PubChem CID119744167
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)NC)C(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-3-6-18(10-14(19)16-2)15(20)9-11-7-12-4-5-13(8-11)17-12;/h11-13,17H,3-10H2,1-2H3,(H,16,19);1H
InChIKeyVKERWNPERKLDON-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 103814955
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 122080455
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-bis(cyanomethyl)acetamide
CID 79607579
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 79607022
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79615177
cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092043

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride (CID 119744167) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride is CCCN(CC(=O)NC)C(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The InChIKey is VKERWNPERKLDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-3-6-18(10-14(19)16-2)15(20)9-11-7-12-4-5-13(8-11)17-12;/h11-13,17H,3-10H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119744167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).