2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide

C17H24BrN3O4 — CID 91958895

IUPAC2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21
InChIInChI=1S/C17H24BrN3O4/c1-23-8-7-21-13-12-16(18)25-15(13)11-14(21)17(22)19-3-2-4-20-5-9-24-10-6-20/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyJYFQFAGJHHTSST-UHFFFAOYSA-N
MW414.30 g/mol
LogP2.10
Rot. Bonds8

About 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide

2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958895) has the molecular formula C17H24BrN3O4 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91958895
Molecular FormulaC17H24BrN3O4
Molecular Weight414.30 g/mol
Exact Mass413.10
IUPAC Name2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21
InChIInChI=1S/C17H24BrN3O4/c1-23-8-7-21-13-12-16(18)25-15(13)11-14(21)17(22)19-3-2-4-20-5-9-24-10-6-20/h11-12H,2-10H2,1H3,(H,19,22)
InChIKeyJYFQFAGJHHTSST-UHFFFAOYSA-N
XLogP2.10
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
CID 91958893
[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91958848
4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791595
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
2-(2-methoxyethoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 103606858
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 86915188
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (CID 91958895) is 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is COCCn1c(C(=O)NCCCN2CCOCC2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JYFQFAGJHHTSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O4/c1-23-8-7-21-13-12-16(18)25-15(13)11-14(21)17(22)19-3-2-4-20-5-9-24-10-6-20/h11-12H,2-10H2,1H3,(H,19,22).
What are the key properties of 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).