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

C22H26N2O2 — CID 113118805

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)16-23(18(2)25)15-13-22(26)24-14-5-7-20-6-3-4-8-21(20)24/h3-4,6,8-12H,5,7,13-16H2,1-2H3
InChIKeyNTIKDCKIRZGYGS-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.71
Rot. Bonds5

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

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113118805) 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-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113118805
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)16-23(18(2)25)15-13-22(26)24-14-5-7-20-6-3-4-8-21(20)24/h3-4,6,8-12H,5,7,13-16H2,1-2H3
InChIKeyNTIKDCKIRZGYGS-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.71
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-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122080
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(3,5-dimethylphenyl)acetamide
CID 113124722
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-propylacetamide
CID 113157998
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164391
N-[2-(4-chlorophenyl)ethyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113165464
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-(3-fluorophenyl)acetamide
CID 113132426

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide (CID 113118805) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide is CC(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccc(C)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NTIKDCKIRZGYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-9-11-19(12-10-17)16-23(18(2)25)15-13-22(26)24-14-5-7-20-6-3-4-8-21(20)24/h3-4,6,8-12H,5,7,13-16H2,1-2H3.
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.71, 5 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113118805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).