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

C19H21N3O2 — CID 2401887

IUPACN-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-19(24)20-13-15-7-2-1-3-8-15)14-22-12-6-10-16-9-4-5-11-17(16)22/h1-5,7-9,11H,6,10,12-14H2,(H2,20,21,23,24)
InChIKeyUSDOULVEPUJDKS-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.47
Rot. Bonds4

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

N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 2401887) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID2401887
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18(21-19(24)20-13-15-7-2-1-3-8-15)14-22-12-6-10-16-9-4-5-11-17(16)22/h1-5,7-9,11H,6,10,12-14H2,(H2,20,21,23,24)
InChIKeyUSDOULVEPUJDKS-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 2401887) is N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2ccccc21)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is USDOULVEPUJDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-19(24)20-13-15-7-2-1-3-8-15)14-22-12-6-10-16-9-4-5-11-17(16)22/h1-5,7-9,11H,6,10,12-14H2,(H2,20,21,23,24).
What are the key properties of N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 2401887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).