4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide

C21H33N3O2 — CID 119040510

IUPAC4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCN1CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C21H33N3O2/c1-17(2)20(24-12-14-26-15-13-24)16-22-21(25)8-5-10-23-11-9-18-6-3-4-7-19(18)23/h3-4,6-7,17,20H,5,8-16H2,1-2H3,(H,22,25)
InChIKeyHKKMBORWHMCJGA-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.30
Rot. Bonds8

About 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide

4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide (PubChem CID 119040510) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
PubChem CID119040510
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide
SMILESCC(C)C(CNC(=O)CCCN1CCc2ccccc21)N1CCOCC1
InChIInChI=1S/C21H33N3O2/c1-17(2)20(24-12-14-26-15-13-24)16-22-21(25)8-5-10-23-11-9-18-6-3-4-7-19(18)23/h3-4,6-7,17,20H,5,8-16H2,1-2H3,(H,22,25)
InChIKeyHKKMBORWHMCJGA-UHFFFAOYSA-N
XLogP2.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide (CID 119040510) is 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide is CC(C)C(CNC(=O)CCCN1CCc2ccccc21)N1CCOCC1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
The InChIKey is HKKMBORWHMCJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-17(2)20(24-12-14-26-15-13-24)16-22-21(25)8-5-10-23-11-9-18-6-3-4-7-19(18)23/h3-4,6-7,17,20H,5,8-16H2,1-2H3,(H,22,25).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide?
4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide has a molecular weight of 359.51 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)butanamide is sourced from PubChem (CID 119040510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).