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

C17H18N2O3 — CID 45496120

IUPAC4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCO)c1cc2occc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-9-4-8-18-17(21)15-11-16-14(7-10-22-16)19(15)12-13-5-2-1-3-6-13/h1-3,5-7,10-11,20H,4,8-9,12H2,(H,18,21)
InChIKeyYUNBUTGRTNQKKR-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.39
Rot. Bonds6

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

4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 45496120) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID45496120
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCCO)c1cc2occc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-9-4-8-18-17(21)15-11-16-14(7-10-22-16)19(15)12-13-5-2-1-3-6-13/h1-3,5-7,10-11,20H,4,8-9,12H2,(H,18,21)
InChIKeyYUNBUTGRTNQKKR-UHFFFAOYSA-N
XLogP2.39
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
2-[[4-[(4-tert-butylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7417311
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
4-[(3,5-dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 42792526

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide (CID 45496120) is 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCCO)c1cc2occc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YUNBUTGRTNQKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-9-4-8-18-17(21)15-11-16-14(7-10-22-16)19(15)12-13-5-2-1-3-6-13/h1-3,5-7,10-11,20H,4,8-9,12H2,(H,18,21).
What are the key properties of 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 45496120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).