2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide

C18H22N2O2 — CID 110197112

IUPAC2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1=C2CCCCC2N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N2O2/c1-19-17(21)11-15-14-9-5-6-10-16(14)20(18(15)22)12-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,19,21)
InChIKeyCXJJQUQQZDHGMG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.40
Rot. Bonds4

About 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide

2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide (PubChem CID 110197112) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide
PubChem CID110197112
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide
SMILESCNC(=O)CC1=C2CCCCC2N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N2O2/c1-19-17(21)11-15-14-9-5-6-10-16(14)20(18(15)22)12-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,19,21)
InChIKeyCXJJQUQQZDHGMG-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide 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

1-[(4-methoxyphenyl)methyl]-3-phenyl-5,6,7,7a-tetrahydro-4H-indol-2-one
CID 11439021
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(3R)-2-benzyl-3-methoxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 40938680
methyl (1R,5S)-6-benzyl-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxylate
CID 133126218
(3R)-2-benzyl-3-propan-2-yloxy-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 40884554
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide (CID 110197112) is 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide is CNC(=O)CC1=C2CCCCC2N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide?
The InChIKey is CXJJQUQQZDHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-17(21)11-15-14-9-5-6-10-16(14)20(18(15)22)12-13-7-3-2-4-8-13/h2-4,7-8,16H,5-6,9-12H2,1H3,(H,19,21).
What are the key properties of 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide?
2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-oxo-5,6,7,7a-tetrahydro-4H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 110197112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).