2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C18H24BrN3O2 — CID 47049412

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H24BrN3O2/c1-14-18(19)15-5-2-3-6-16(15)22(14)13-17(23)20-7-4-8-21-9-11-24-12-10-21/h2-3,5-6H,4,7-13H2,1H3,(H,20,23)
InChIKeyGZMNUXRIRNOHME-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.55
Rot. Bonds6

About 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 47049412) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID47049412
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H24BrN3O2/c1-14-18(19)15-5-2-3-6-16(15)22(14)13-17(23)20-7-4-8-21-9-11-24-12-10-21/h2-3,5-6H,4,7-13H2,1H3,(H,20,23)
InChIKeyGZMNUXRIRNOHME-UHFFFAOYSA-N
XLogP2.55
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 22334549
2-[3-(3-methylphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42792797
2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 30559058
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 47049057
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
1-butyl-3-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110497283
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 47049412) is 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1c(Br)c2ccccc2n1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is GZMNUXRIRNOHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-14-18(19)15-5-2-3-6-16(15)22(14)13-17(23)20-7-4-8-21-9-11-24-12-10-21/h2-3,5-6H,4,7-13H2,1H3,(H,20,23).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 394.31 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 47049412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).