3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane

C15H24N2O2 — CID 91011691

IUPAC3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane
SMILESCC.CNC(=O)CC(=O)N1CCCC2C=CC=CC21
InChIInChI=1S/C13H18N2O2.C2H6/c1-14-12(16)9-13(17)15-8-4-6-10-5-2-3-7-11(10)15;1-2/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H,14,16);1-2H3
InChIKeyUZEBKKSLQONPET-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds2

About 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane

3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane (PubChem CID 91011691) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane.

Molecular Properties

Compound Name3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane
PubChem CID91011691
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane
SMILESCC.CNC(=O)CC(=O)N1CCCC2C=CC=CC21
InChIInChI=1S/C13H18N2O2.C2H6/c1-14-12(16)9-13(17)15-8-4-6-10-5-2-3-7-11(10)15;1-2/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H,14,16);1-2H3
InChIKeyUZEBKKSLQONPET-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane 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

tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
tert-butyl (2S)-2-(methylamino)pyrrolidine-1-carboxylate
CID 68972263
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
3-[(4aR,7aR)-2,2-dimethyl-3,4a,5,6,7,7a-hexahydrocyclopenta[b][1,4]oxazin-4-yl]-N-methyl-3-oxopropanamide
CID 129349283
tert-butyl (2S)-2-tributylstannylpyrrolidine-1-carboxylate
CID 10972577
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 66569273
(2S)-1-[3-(methylamino)but-3-enoyl]pyrrolidine-2-carbonitrile
CID 59269846
tert-butyl (1R,6R)-7-[2-(methylamino)ethyl]-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 84708280
tert-butyl (2S)-2-[[2-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 57346302

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane?
The IUPAC name of 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane (CID 91011691) is 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane.
What is the SMILES notation for 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane?
The canonical SMILES for 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane is CC.CNC(=O)CC(=O)N1CCCC2C=CC=CC21.
What is the InChIKey of 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane?
The InChIKey is UZEBKKSLQONPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C2H6/c1-14-12(16)9-13(17)15-8-4-6-10-5-2-3-7-11(10)15;1-2/h2-3,5,7,10-11H,4,6,8-9H2,1H3,(H,14,16);1-2H3.
What are the key properties of 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane?
3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane has a molecular weight of 264.37 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,8a-tetrahydro-2H-quinolin-1-yl)-N-methyl-3-oxopropanamide;ethane is sourced from PubChem (CID 91011691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).