5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

C28H35N3O3 — CID 42787232

IUPAC5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)C1CCCC1
InChIInChI=1S/C28H35N3O3/c1-3-17-31(28(33)23-12-7-8-13-23)19-24-14-9-18-30(24)20-25-15-16-26(34-25)27(32)29-21(2)22-10-5-4-6-11-22/h4-6,9-11,14-16,18,21,23H,3,7-8,12-13,17,19-20H2,1-2H3,(H,29,32)
InChIKeyDXMYIJOFFXDILF-UHFFFAOYSA-N
MW461.61 g/mol
LogP5.55
Rot. Bonds10

About 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 42787232) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID42787232
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)C1CCCC1
InChIInChI=1S/C28H35N3O3/c1-3-17-31(28(33)23-12-7-8-13-23)19-24-14-9-18-30(24)20-25-15-16-26(34-25)27(32)29-21(2)22-10-5-4-6-11-22/h4-6,9-11,14-16,18,21,23H,3,7-8,12-13,17,19-20H2,1-2H3,(H,29,32)
InChIKeyDXMYIJOFFXDILF-UHFFFAOYSA-N
XLogP5.55
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide with MolForge

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Related Compounds

5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787354
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42787248
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(3-methoxypropyl)furan-2-carboxamide
CID 7418269
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 7495607
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N,N-diethylfuran-2-carboxamide
CID 7364523
N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
5-[[2-[[cyclopropanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42666179
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42787378
N-[[1-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 42666140
5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
CID 7289233
N-[[1-[[5-(4-benzhydrylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-3-methyl-N-propylbutanamide
CID 3555972

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 42787232) is 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)C1CCCC1.
What is the InChIKey of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is DXMYIJOFFXDILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-3-17-31(28(33)23-12-7-8-13-23)19-24-14-9-18-30(24)20-25-15-16-26(34-25)27(32)29-21(2)22-10-5-4-6-11-22/h4-6,9-11,14-16,18,21,23H,3,7-8,12-13,17,19-20H2,1-2H3,(H,29,32).
What are the key properties of 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 5.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42787232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).