3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide

C18H27N3O3 — CID 58703332

IUPAC3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
SMILESCN1CC(CNCCC(=O)NOC2CCCCO2)c2ccccc21
InChIInChI=1S/C18H27N3O3/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18/h2-3,6-7,14,18-19H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyLFHSROUCTAZPCG-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.77
Rot. Bonds7

About 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide

3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide (PubChem CID 58703332) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide.

Molecular Properties

Compound Name3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
PubChem CID58703332
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
SMILESCN1CC(CNCCC(=O)NOC2CCCCO2)c2ccccc21
InChIInChI=1S/C18H27N3O3/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18/h2-3,6-7,14,18-19H,4-5,8-13H2,1H3,(H,20,22)
InChIKeyLFHSROUCTAZPCG-UHFFFAOYSA-N
XLogP1.77
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide?
The IUPAC name of 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide (CID 58703332) is 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide.
What is the SMILES notation for 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide?
The canonical SMILES for 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide is CN1CC(CNCCC(=O)NOC2CCCCO2)c2ccccc21.
What is the InChIKey of 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide?
The InChIKey is LFHSROUCTAZPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18/h2-3,6-7,14,18-19H,4-5,8-13H2,1H3,(H,20,22).
What are the key properties of 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide?
3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide has a molecular weight of 333.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide is sourced from PubChem (CID 58703332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).