N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide

C22H26N2O2 — CID 113124722

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1cc(C)cc(C)c1
InChIInChI=1S/C22H26N2O2/c1-16-13-17(2)15-20(14-16)23(18(3)25)12-10-22(26)24-11-6-8-19-7-4-5-9-21(19)24/h4-5,7,9,13-15H,6,8,10-12H2,1-3H3
InChIKeyMUERSTQBTMPICI-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.03
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 113124722) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID113124722
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)c1cc(C)cc(C)c1
InChIInChI=1S/C22H26N2O2/c1-16-13-17(2)15-20(14-16)23(18(3)25)12-10-22(26)24-11-6-8-19-7-4-5-9-21(19)24/h4-5,7,9,13-15H,6,8,10-12H2,1-3H3
InChIKeyMUERSTQBTMPICI-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)acetamide
CID 113132426
N-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113132893
N-(4-chloro-2-methylphenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113127883
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)acetamide
CID 113167942
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-methoxyphenyl)acetamide
CID 113128782
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113135745
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide (CID 113124722) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide is CC(=O)N(CCC(=O)N1CCCc2ccccc21)c1cc(C)cc(C)c1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is MUERSTQBTMPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16-13-17(2)15-20(14-16)23(18(3)25)12-10-22(26)24-11-6-8-19-7-4-5-9-21(19)24/h4-5,7,9,13-15H,6,8,10-12H2,1-3H3.
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 350.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113124722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).