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

C21H24N2O2 — CID 112765903

IUPACN-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1c2ccccc2CCC1C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15-12-13-18-10-6-7-11-20(18)23(15)21(25)14-19(22-16(2)24)17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,24)
InChIKeyNLTHNEZPNOABHE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds4

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

N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide (PubChem CID 112765903) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide
PubChem CID112765903
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1c2ccccc2CCC1C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15-12-13-18-10-6-7-11-20(18)23(15)21(25)14-19(22-16(2)24)17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,24)
InChIKeyNLTHNEZPNOABHE-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-1-phenylpropyl]acetamide
CID 43035191
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
[(1R)-1-(4-bromophenyl)-3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
CID 31819468
[(1S)-1-(4-bromophenyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]urea
CID 31819470
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46817528
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132912
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide (CID 112765903) is N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)N1c2ccccc2CCC1C)c1ccccc1.
What is the InChIKey of N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is NLTHNEZPNOABHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-12-13-18-10-6-7-11-20(18)23(15)21(25)14-19(22-16(2)24)17-8-4-3-5-9-17/h3-11,15,19H,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 112765903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).