N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

C14H20N2O2 — CID 2998176

IUPACN-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCOCCNC(=O)CN1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O2/c1-11-9-12-5-3-4-6-13(12)16(11)10-14(17)15-7-8-18-2/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyDIJBBFAJBIOJAT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds5

About N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide

N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 2998176) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID2998176
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
SMILESCOCCNC(=O)CN1c2ccccc2CC1C
InChIInChI=1S/C14H20N2O2/c1-11-9-12-5-3-4-6-13(12)16(11)10-14(17)15-7-8-18-2/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyDIJBBFAJBIOJAT-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
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 N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide (CID 2998176) is N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is COCCNC(=O)CN1c2ccccc2CC1C.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is DIJBBFAJBIOJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-9-12-5-3-4-6-13(12)16(11)10-14(17)15-7-8-18-2/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide?
N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 2998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).