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

C14H22N2O2 — CID 110196524

IUPAC2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H22N2O2/c1-10(2)13(18)15-9-14-7-4-3-5-11(14)16-12(17)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKPSFBSJURJMAGL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds3

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

2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide (PubChem CID 110196524) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
PubChem CID110196524
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
SMILESCC(C)C(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C14H22N2O2/c1-10(2)13(18)15-9-14-7-4-3-5-11(14)16-12(17)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyKPSFBSJURJMAGL-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide (CID 110196524) is 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide is CC(C)C(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
The InChIKey is KPSFBSJURJMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(18)15-9-14-7-4-3-5-11(14)16-12(17)6-8-14/h5,10H,3-4,6-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide?
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide is sourced from PubChem (CID 110196524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).