4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide

C19H20N2O2 — CID 42792567

IUPAC4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCc2ccccc2)cc2occc21
InChIInChI=1S/C19H20N2O2/c1-14(2)13-21-16-9-11-23-18(16)12-17(21)19(22)20-10-8-15-6-4-3-5-7-15/h3-7,9,11-12H,1,8,10,13H2,2H3,(H,20,22)
InChIKeyKBVSHUHZTNRRJV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.78
Rot. Bonds6

About 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42792567) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42792567
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)NCCc2ccccc2)cc2occc21
InChIInChI=1S/C19H20N2O2/c1-14(2)13-21-16-9-11-23-18(16)12-17(21)19(22)20-10-8-15-6-4-3-5-7-15/h3-7,9,11-12H,1,8,10,13H2,2H3,(H,20,22)
InChIKeyKBVSHUHZTNRRJV-UHFFFAOYSA-N
XLogP3.78
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
N,4-dibutylfuro[3,2-b]pyrrole-5-carboxamide
CID 3637931
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 43817614
4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
CID 12733404
4-[(3,5-dimethoxyphenyl)methyl]-N-propylfuro[3,2-b]pyrrole-5-carboxamide
CID 42792536
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42792567) is 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide is C=C(C)Cn1c(C(=O)NCCc2ccccc2)cc2occc21.
What is the InChIKey of 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KBVSHUHZTNRRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(2)13-21-16-9-11-23-18(16)12-17(21)19(22)20-10-8-15-6-4-3-5-7-15/h3-7,9,11-12H,1,8,10,13H2,2H3,(H,20,22).
What are the key properties of 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42792567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).