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

C21H25N3O3 — CID 45494460

IUPAC4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-21(22-8-4-9-23-10-13-26-14-11-23)19-15-20-18(7-12-27-20)24(19)16-17-5-2-1-3-6-17/h1-3,5-7,12,15H,4,8-11,13-14,16H2,(H,22,25)
InChIKeyGDKAIAMAHOQMBP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.73
Rot. Bonds7

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

4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 45494460) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID45494460
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1
InChIInChI=1S/C21H25N3O3/c25-21(22-8-4-9-23-10-13-26-14-11-23)19-15-20-18(7-12-27-20)24(19)16-17-5-2-1-3-6-17/h1-3,5-7,12,15H,4,8-11,13-14,16H2,(H,22,25)
InChIKeyGDKAIAMAHOQMBP-UHFFFAOYSA-N
XLogP2.73
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
6-[(3-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 7235057
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791595
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (CID 45494460) is 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCCN1CCOCC1)c1cc2occc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GDKAIAMAHOQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(22-8-4-9-23-10-13-26-14-11-23)19-15-20-18(7-12-27-20)24(19)16-17-5-2-1-3-6-17/h1-3,5-7,12,15H,4,8-11,13-14,16H2,(H,22,25).
What are the key properties of 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 45494460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).