N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide

C14H22N2O3 — CID 164629492

IUPACN-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC[C@@]12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H22N2O3/c1-19-9-6-12(17)15-10-14-7-3-2-4-11(14)16-13(18)5-8-14/h4H,2-3,5-10H2,1H3,(H,15,17)(H,16,18)/t14-/m0/s1
InChIKeyDJLQRYZDZSEEJH-AWEZNQCLSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds5

About N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide

N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide (PubChem CID 164629492) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide
PubChem CID164629492
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC[C@@]12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H22N2O3/c1-19-9-6-12(17)15-10-14-7-3-2-4-11(14)16-13(18)5-8-14/h4H,2-3,5-10H2,1H3,(H,15,17)(H,16,18)/t14-/m0/s1
InChIKeyDJLQRYZDZSEEJH-AWEZNQCLSA-N
XLogP1.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide?
The IUPAC name of N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide (CID 164629492) is N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide.
What is the SMILES notation for N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide?
The canonical SMILES for N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide is COCCC(=O)NC[C@@]12CCCC=C1NC(=O)CC2.
What is the InChIKey of N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide?
The InChIKey is DJLQRYZDZSEEJH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-9-6-12(17)15-10-14-7-3-2-4-11(14)16-13(18)5-8-14/h4H,2-3,5-10H2,1H3,(H,15,17)(H,16,18)/t14-/m0/s1.
What are the key properties of N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide?
N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 164629492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).