2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H18N2O2 — CID 53123949

IUPAC2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1cccc1C(=O)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-11-5-10-15(19)16(20)17(21)18-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H,18,21)
InChIKeyMBSAZAFMUHVJBR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 53123949) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID53123949
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCn1cccc1C(=O)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-19-11-5-10-15(19)16(20)17(21)18-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H,18,21)
InChIKeyMBSAZAFMUHVJBR-UHFFFAOYSA-N
XLogP2.40
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2-(1-methylpiperidin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 133204363
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62318149
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-imidazol-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17491802
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 53123949) is 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is Cn1cccc1C(=O)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is MBSAZAFMUHVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-11-5-10-15(19)16(20)17(21)18-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,5-6,8,10-11,14H,4,7,9H2,1H3,(H,18,21).
What are the key properties of 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 53123949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).