2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate

C15H21NO4 — CID 103178589

IUPAC2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
SMILESCOCCCOCCOC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO4/c1-18-7-2-8-19-9-10-20-15(17)13-3-4-14-12(11-13)5-6-16-14/h3-4,11,16H,2,5-10H2,1H3
InChIKeyNCOAVJPGGZBLHH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.86
Rot. Bonds8

About 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate

2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate (PubChem CID 103178589) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
PubChem CID103178589
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate
SMILESCOCCCOCCOC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C15H21NO4/c1-18-7-2-8-19-9-10-20-15(17)13-3-4-14-12(11-13)5-6-16-14/h3-4,11,16H,2,5-10H2,1H3
InChIKeyNCOAVJPGGZBLHH-UHFFFAOYSA-N
XLogP1.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 43267445
2-(3-methoxypropoxy)ethyl 4-amino-3-chlorobenzoate
CID 103178284
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methoxyethylamino)ethanone
CID 82102369
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 106203130
2-(3-methoxypropoxy)ethyl 4-(aminomethyl)benzoate
CID 103178437
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
3-(2-methoxyethoxy)propyl 3-amino-4-fluorobenzoate
CID 103403556
3-(2-methoxyethoxy)propyl 4-amino-3-bromobenzoate
CID 103403309
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106254086
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate (CID 103178589) is 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate is COCCCOCCOC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate?
The InChIKey is NCOAVJPGGZBLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-7-2-8-19-9-10-20-15(17)13-3-4-14-12(11-13)5-6-16-14/h3-4,11,16H,2,5-10H2,1H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate?
2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 2,3-dihydro-1H-indole-5-carboxylate is sourced from PubChem (CID 103178589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).