N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

C21H22N2O2 — CID 2021697

IUPACN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C
InChIInChI=1S/C21H22N2O2/c1-4-21(25)23(19-10-9-14(2)11-15(19)3)13-16-12-20(24)22-18-8-6-5-7-17(16)18/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyCEWUPTBMNJMAGI-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.09
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide

N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (PubChem CID 2021697) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
PubChem CID2021697
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C
InChIInChI=1S/C21H22N2O2/c1-4-21(25)23(19-10-9-14(2)11-15(19)3)13-16-12-20(24)22-18-8-6-5-7-17(16)18/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyCEWUPTBMNJMAGI-UHFFFAOYSA-N
XLogP4.09
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide (CID 2021697) is N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
The InChIKey is CEWUPTBMNJMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-21(25)23(19-10-9-14(2)11-15(19)3)13-16-12-20(24)22-18-8-6-5-7-17(16)18/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide?
N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 2021697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).