2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

C15H21N3O3 — CID 2539881

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-21-10-8-16-15(20)17-14(19)11-18-9-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17,19,20)
InChIKeyXWZNTPBUYRURDV-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.91
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 2539881) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID2539881
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C15H21N3O3/c1-21-10-8-16-15(20)17-14(19)11-18-9-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17,19,20)
InChIKeyXWZNTPBUYRURDV-UHFFFAOYSA-N
XLogP0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide (CID 2539881) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is XWZNTPBUYRURDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-10-8-16-15(20)17-14(19)11-18-9-4-6-12-5-2-3-7-13(12)18/h2-3,5,7H,4,6,8-11H2,1H3,(H2,16,17,19,20).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 2539881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).