3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide

C13H23N3O2 — CID 42927300

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCCC2CCCCC21
InChIInChI=1S/C13H23N3O2/c14-13(18)15-12(17)7-9-16-8-3-5-10-4-1-2-6-11(10)16/h10-11H,1-9H2,(H3,14,15,17,18)
InChIKeyRKDIWOYOFSVKQZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.23
Rot. Bonds3

About 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide (PubChem CID 42927300) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide
PubChem CID42927300
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN1CCCC2CCCCC21
InChIInChI=1S/C13H23N3O2/c14-13(18)15-12(17)7-9-16-8-3-5-10-4-1-2-6-11(10)16/h10-11H,1-9H2,(H3,14,15,17,18)
InChIKeyRKDIWOYOFSVKQZ-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide (CID 42927300) is 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide is NC(=O)NC(=O)CCN1CCCC2CCCCC21.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide?
The InChIKey is RKDIWOYOFSVKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(18)15-12(17)7-9-16-8-3-5-10-4-1-2-6-11(10)16/h10-11H,1-9H2,(H3,14,15,17,18).
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide?
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 42927300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).