5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide

C22H33N3O3 — CID 7289233

IUPAC5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(Cn2cccc2CN(CCC)C(=O)CC(C)C)o1
InChIInChI=1S/C22H33N3O3/c1-5-11-23-22(27)20-10-9-19(28-20)16-24-13-7-8-18(24)15-25(12-6-2)21(26)14-17(3)4/h7-10,13,17H,5-6,11-12,14-16H2,1-4H3,(H,23,27)
InChIKeyDFSXPUUBSOSMFB-UHFFFAOYSA-N
MW387.52 g/mol
LogP4.05
Rot. Bonds11

About 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide

5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide (PubChem CID 7289233) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
PubChem CID7289233
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
SMILESCCCNC(=O)c1ccc(Cn2cccc2CN(CCC)C(=O)CC(C)C)o1
InChIInChI=1S/C22H33N3O3/c1-5-11-23-22(27)20-10-9-19(28-20)16-24-13-7-8-18(24)15-25(12-6-2)21(26)14-17(3)4/h7-10,13,17H,5-6,11-12,14-16H2,1-4H3,(H,23,27)
InChIKeyDFSXPUUBSOSMFB-UHFFFAOYSA-N
XLogP4.05
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7497847
N-[2-(2,4-dichlorophenyl)ethyl]-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42666142
5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42787378
N-(2-morpholin-4-ylethyl)-5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7265561
5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42787109
N-[[1-[[5-(4-benzhydrylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-3-methyl-N-propylbutanamide
CID 3555972
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416
5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787354
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 42787222
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 7418269
N-benzyl-5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42787082

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide (CID 7289233) is 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(Cn2cccc2CN(CCC)C(=O)CC(C)C)o1.
What is the InChIKey of 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide?
The InChIKey is DFSXPUUBSOSMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-5-11-23-22(27)20-10-9-19(28-20)16-24-13-7-8-18(24)15-25(12-6-2)21(26)14-17(3)4/h7-10,13,17H,5-6,11-12,14-16H2,1-4H3,(H,23,27).
What are the key properties of 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide?
5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 7289233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).