2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

C22H33N3O2 — CID 11929445

IUPAC2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1C
InChIInChI=1S/C22H33N3O2/c1-16-8-6-11-19(17(16)2)23-21(26)14-24(3)15-22(27)25-13-7-10-18-9-4-5-12-20(18)25/h6,8,11,18,20H,4-5,7,9-10,12-15H2,1-3H3,(H,23,26)/t18-,20+/m1/s1
InChIKeyQRKIWLUFRDRIBX-QUCCMNQESA-N
MW371.53 g/mol
LogP3.35
Rot. Bonds5

About 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 11929445) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID11929445
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1C
InChIInChI=1S/C22H33N3O2/c1-16-8-6-11-19(17(16)2)23-21(26)14-24(3)15-22(27)25-13-7-10-18-9-4-5-12-20(18)25/h6,8,11,18,20H,4-5,7,9-10,12-15H2,1-3H3,(H,23,26)/t18-,20+/m1/s1
InChIKeyQRKIWLUFRDRIBX-QUCCMNQESA-N
XLogP3.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)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-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694672
ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
CID 8553056
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]acetic acid
CID 124678250
N-(2,3-dimethylphenyl)-2-[methyl-[(3R)-1-methylsulfonylpiperidin-3-yl]amino]acetamide
CID 97072442
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide
CID 91832359
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
2-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 86906760
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917573

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 11929445) is 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c1C.
What is the InChIKey of 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is QRKIWLUFRDRIBX-QUCCMNQESA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-8-6-11-19(17(16)2)23-21(26)14-24(3)15-22(27)25-13-7-10-18-9-4-5-12-20(18)25/h6,8,11,18,20H,4-5,7,9-10,12-15H2,1-3H3,(H,23,26)/t18-,20+/m1/s1.
What are the key properties of 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 371.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 11929445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).