N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide

C14H19N3O3 — CID 107314048

IUPACN-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H19N3O3/c1-9(13(18)17-14(19)15-2)20-11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9,16H,3-4,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyXGNLBQJBUHKGQO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.27
Rot. Bonds3

About N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide

N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide (PubChem CID 107314048) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
PubChem CID107314048
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc2c(c1)NCCC2
InChIInChI=1S/C14H19N3O3/c1-9(13(18)17-14(19)15-2)20-11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9,16H,3-4,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyXGNLBQJBUHKGQO-UHFFFAOYSA-N
XLogP1.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide (CID 107314048) is N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide is CNC(=O)NC(=O)C(C)Oc1ccc2c(c1)NCCC2.
What is the InChIKey of N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
The InChIKey is XGNLBQJBUHKGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(13(18)17-14(19)15-2)20-11-6-5-10-4-3-7-16-12(10)8-11/h5-6,8-9,16H,3-4,7H2,1-2H3,(H2,15,17,18,19).
What are the key properties of N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide?
N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide has a molecular weight of 277.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)propanamide is sourced from PubChem (CID 107314048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).