6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide

C14H19NO3 — CID 141251495

IUPAC6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOCCCOc1cc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C14H19NO3/c1-17-6-3-7-18-13-9-11-5-2-4-10(11)8-12(13)14(15)16/h8-9H,2-7H2,1H3,(H2,15,16)
InChIKeyYYAOVSYBRBBQHE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds6

About 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide

6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 141251495) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID141251495
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOCCCOc1cc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C14H19NO3/c1-17-6-3-7-18-13-9-11-5-2-4-10(11)8-12(13)14(15)16/h8-9H,2-7H2,1H3,(H2,15,16)
InChIKeyYYAOVSYBRBBQHE-UHFFFAOYSA-N
XLogP1.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide (CID 141251495) is 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide is COCCCOc1cc2c(cc1C(N)=O)CCC2.
What is the InChIKey of 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is YYAOVSYBRBBQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-6-3-7-18-13-9-11-5-2-4-10(11)8-12(13)14(15)16/h8-9H,2-7H2,1H3,(H2,15,16).
What are the key properties of 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 141251495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).