N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C22H26N2O2 — CID 55592669

IUPACN-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCN(C(=O)CCC1Cc2ccccc2NC1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H26N2O2/c1-4-24(19-12-15(2)11-16(3)13-19)21(25)10-9-18-14-17-7-5-6-8-20(17)23-22(18)26/h5-8,11-13,18H,4,9-10,14H2,1-3H3,(H,23,26)
InChIKeyKNTSICWYPMHCAO-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.25
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 55592669) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID55592669
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCN(C(=O)CCC1Cc2ccccc2NC1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C22H26N2O2/c1-4-24(19-12-15(2)11-16(3)13-19)21(25)10-9-18-14-17-7-5-6-8-20(17)23-22(18)26/h5-8,11-13,18H,4,9-10,14H2,1-3H3,(H,23,26)
InChIKeyKNTSICWYPMHCAO-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 55592669) is N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCN(C(=O)CCC1Cc2ccccc2NC1=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is KNTSICWYPMHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-24(19-12-15(2)11-16(3)13-19)21(25)10-9-18-14-17-7-5-6-8-20(17)23-22(18)26/h5-8,11-13,18H,4,9-10,14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 350.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 55592669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).