2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

C21H26N2O — CID 86957177

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CC1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-23(19-9-3-2-4-10-19)15-7-14-22-21(24)16-18-13-12-17-8-5-6-11-20(17)18/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24)
InChIKeyXOSXBRVWXLEPPX-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.75
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 86957177) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID86957177
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCN(CCCNC(=O)CC1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-23(19-9-3-2-4-10-19)15-7-14-22-21(24)16-18-13-12-17-8-5-6-11-20(17)18/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24)
InChIKeyXOSXBRVWXLEPPX-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
N-[4-(N-methylanilino)butyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60566059
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
N-[3-(N-methylanilino)propyl]-2-piperidin-3-ylacetamide
CID 62691049
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
CID 163312235
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3-fluorophenyl)propyl]acetamide
CID 86955855
N-(4-chlorophenyl)-4-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]butanamide
CID 86957312
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 72890558
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (CID 86957177) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is CN(CCCNC(=O)CC1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is XOSXBRVWXLEPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-23(19-9-3-2-4-10-19)15-7-14-22-21(24)16-18-13-12-17-8-5-6-11-20(17)18/h2-6,8-11,18H,7,12-16H2,1H3,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 86957177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).