2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

C20H26BrN3O2 — CID 155531536

IUPAC2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
SMILESCc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C20H26BrN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25)
InChIKeyQCNMCJYNIRVNST-UHFFFAOYSA-N
MW420.35 g/mol
LogP2.87
Rot. Bonds6

About 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide

2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (PubChem CID 155531536) has the molecular formula C20H26BrN3O2 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
PubChem CID155531536
Molecular FormulaC20H26BrN3O2
Molecular Weight420.35 g/mol
Exact Mass419.12
IUPAC Name2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide
SMILESCc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CC1
InChIInChI=1S/C20H26BrN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25)
InChIKeyQCNMCJYNIRVNST-UHFFFAOYSA-N
XLogP2.87
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide (CID 155531536) is 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CC1.
What is the InChIKey of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
The InChIKey is QCNMCJYNIRVNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3O2/c1-14-17(6-7-23-8-10-26-11-9-23)18-12-15(21)2-5-19(18)24(14)13-20(25)22-16-3-4-16/h2,5,12,16H,3-4,6-11,13H2,1H3,(H,22,25).
What are the key properties of 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide?
2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide has a molecular weight of 420.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 155531536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).