5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one

C18H24N2O — CID 60943688

IUPAC5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C18H24N2O/c1-5-10-20-12-16(7-9-18(20)21)19-15(4)17-8-6-13(2)11-14(17)3/h6-9,11-12,15,19H,5,10H2,1-4H3
InChIKeyMZNUKTJSIHVFEP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds5

About 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one

5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one (PubChem CID 60943688) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
PubChem CID60943688
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)c2ccc(C)cc2C)ccc1=O
InChIInChI=1S/C18H24N2O/c1-5-10-20-12-16(7-9-18(20)21)19-15(4)17-8-6-13(2)11-14(17)3/h6-9,11-12,15,19H,5,10H2,1-4H3
InChIKeyMZNUKTJSIHVFEP-UHFFFAOYSA-N
XLogP4.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
CID 43098508
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
2-bromo-5-methyl-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 80973094
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
CID 114829289
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
CID 60943818
2,3,5,6-tetramethyl-N-(6-oxo-1-propyl-3-pyridinyl)benzenesulfonamide
CID 51127332
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one (CID 60943688) is 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one is CCCn1cc(NC(C)c2ccc(C)cc2C)ccc1=O.
What is the InChIKey of 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one?
The InChIKey is MZNUKTJSIHVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-10-20-12-16(7-9-18(20)21)19-15(4)17-8-6-13(2)11-14(17)3/h6-9,11-12,15,19H,5,10H2,1-4H3.
What are the key properties of 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one?
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 60943688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).