N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C14H19NO3 — CID 55024103

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCOCCO)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO3/c16-7-9-18-8-6-15-14(17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,15,17)
InChIKeyCOPPDQCSVFRIGK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.91
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 55024103) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID55024103
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCCOCCO)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO3/c16-7-9-18-8-6-15-14(17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,15,17)
InChIKeyCOPPDQCSVFRIGK-UHFFFAOYSA-N
XLogP0.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784511
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanone
CID 82102314
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzamide
CID 81471797
N-(2-phenylsulfanylethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9482902
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 55024103) is N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCCOCCO)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is COPPDQCSVFRIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-7-9-18-8-6-15-14(17)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,15,17).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 55024103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).