2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide

C20H23NO2 — CID 86955466

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCCCOc1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(15-17-12-11-16-7-4-5-10-19(16)17)21-13-6-14-23-18-8-2-1-3-9-18/h1-5,7-10,17H,6,11-15H2,(H,21,22)
InChIKeyYNLDHMXRZHRWGH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.69
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide (PubChem CID 86955466) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
PubChem CID86955466
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
SMILESO=C(CC1CCc2ccccc21)NCCCOc1ccccc1
InChIInChI=1S/C20H23NO2/c22-20(15-17-12-11-16-7-4-5-10-19(16)17)21-13-6-14-23-18-8-2-1-3-9-18/h1-5,7-10,17H,6,11-15H2,(H,21,22)
InChIKeyYNLDHMXRZHRWGH-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.69
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

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86955365
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
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-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
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-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide (CID 86955466) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide is O=C(CC1CCc2ccccc21)NCCCOc1ccccc1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide?
The InChIKey is YNLDHMXRZHRWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(15-17-12-11-16-7-4-5-10-19(16)17)21-13-6-14-23-18-8-2-1-3-9-18/h1-5,7-10,17H,6,11-15H2,(H,21,22).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.69, 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-phenoxypropyl)acetamide is sourced from PubChem (CID 86955466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).