3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride

C16H30ClN3O2 — CID 119737591

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-11(2)18-15(20)6-7-17-16(21)10-12-8-13-4-5-14(9-12)19-13;/h11-14,19H,3-10H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyOEJJGSLWIAFBJG-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.75
Rot. Bonds7

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride (PubChem CID 119737591) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
PubChem CID119737591
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
SMILESCCC(C)NC(=O)CCNC(=O)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-11(2)18-15(20)6-7-17-16(21)10-12-8-13-4-5-14(9-12)19-13;/h11-14,19H,3-10H2,1-2H3,(H,17,21)(H,18,20);1H
InChIKeyOEJJGSLWIAFBJG-UHFFFAOYSA-N
XLogP1.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;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-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 62781746
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495
N-butan-2-yl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanamide;hydrochloride
CID 119737602
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 79610570
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
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-(3-methylsulfinylbutyl)acetamide
CID 115740886

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride (CID 119737591) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride is CCC(C)NC(=O)CCNC(=O)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
The InChIKey is OEJJGSLWIAFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-11(2)18-15(20)6-7-17-16(21)10-12-8-13-4-5-14(9-12)19-13;/h11-14,19H,3-10H2,1-2H3,(H,17,21)(H,18,20);1H.
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride is sourced from PubChem (CID 119737591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).