2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide

C19H22N2O2 — CID 97116698

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCCCOc1cccnc1
InChIInChI=1S/C19H22N2O2/c22-19(13-16-9-8-15-5-1-2-7-18(15)16)21-11-4-12-23-17-6-3-10-20-14-17/h1-3,5-7,10,14,16H,4,8-9,11-13H2,(H,21,22)/t16-/m1/s1
InChIKeyOLDBDNSUABZAIR-MRXNPFEDSA-N
MW310.40 g/mol
LogP3.09
Rot. Bonds7

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide (PubChem CID 97116698) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
PubChem CID97116698
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCCCOc1cccnc1
InChIInChI=1S/C19H22N2O2/c22-19(13-16-9-8-15-5-1-2-7-18(15)16)21-11-4-12-23-17-6-3-10-20-14-17/h1-3,5-7,10,14,16H,4,8-9,11-13H2,(H,21,22)/t16-/m1/s1
InChIKeyOLDBDNSUABZAIR-MRXNPFEDSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 86955365
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-sulfamoylpropyl)acetamide
CID 96551201
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
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-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97139216
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 86957177
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86955542
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)acetamide
CID 50966574

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide (CID 97116698) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide is O=C(C[C@H]1CCc2ccccc21)NCCCOc1cccnc1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
The InChIKey is OLDBDNSUABZAIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(13-16-9-8-15-5-1-2-7-18(15)16)21-11-4-12-23-17-6-3-10-20-14-17/h1-3,5-7,10,14,16H,4,8-9,11-13H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide is sourced from PubChem (CID 97116698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).