3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide

C13H24N4O2 — CID 61230790

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
SMILESCCN(CCC(=O)NC(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N4O2/c1-2-17(6-5-12(18)16-13(14)19)11-7-9-3-4-10(8-11)15-9/h9-11,15H,2-8H2,1H3,(H3,14,16,18,19)
InChIKeyNHAZLUXSSPIFNE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.18
Rot. Bonds5

About 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide

3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide (PubChem CID 61230790) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
PubChem CID61230790
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
SMILESCCN(CCC(=O)NC(N)=O)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N4O2/c1-2-17(6-5-12(18)16-13(14)19)11-7-9-3-4-10(8-11)15-9/h9-11,15H,2-8H2,1H3,(H3,14,16,18,19)
InChIKeyNHAZLUXSSPIFNE-UHFFFAOYSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
N-carbamoyl-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102676860
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 61231473
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 112590844
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573

Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide (CID 61230790) is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide is CCN(CCC(=O)NC(N)=O)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide?
The InChIKey is NHAZLUXSSPIFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-17(6-5-12(18)16-13(14)19)11-7-9-3-4-10(8-11)15-9/h9-11,15H,2-8H2,1H3,(H3,14,16,18,19).
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide?
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide has a molecular weight of 268.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 61230790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).