5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

C25H31N3O4 — CID 42787354

IUPAC5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)COC
InChIInChI=1S/C25H31N3O4/c1-4-14-28(24(29)18-31-3)16-21-11-8-15-27(21)17-22-12-13-23(32-22)25(30)26-19(2)20-9-6-5-7-10-20/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,30)
InChIKeyPISYEHTVOSFBHF-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.01
Rot. Bonds11

About 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 42787354) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID42787354
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)COC
InChIInChI=1S/C25H31N3O4/c1-4-14-28(24(29)18-31-3)16-21-11-8-15-27(21)17-22-12-13-23(32-22)25(30)26-19(2)20-9-6-5-7-10-20/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,30)
InChIKeyPISYEHTVOSFBHF-UHFFFAOYSA-N
XLogP4.01
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[[cyclopentanecarbonyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42787232
N-(3-methoxypropyl)-5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7497847
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
5-[[2-[[3-methylbutanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-propylfuran-2-carboxamide
CID 7289233
5-[[2-[[benzoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42787378
N-[[1-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-2-methoxy-N-propylacetamide
CID 42787362
N-[[1-[[5-(4-benzhydrylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-3-methyl-N-propylbutanamide
CID 3555972
5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 7214416
N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-pentylacetamide
CID 4574832
N-benzyl-5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 42787082
N-(2-morpholin-4-ylethyl)-5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7265561
N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
CID 42787049

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 42787354) is 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is CCCN(Cc1cccn1Cc1ccc(C(=O)NC(C)c2ccccc2)o1)C(=O)COC.
What is the InChIKey of 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is PISYEHTVOSFBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-4-14-28(24(29)18-31-3)16-21-11-8-15-27(21)17-22-12-13-23(32-22)25(30)26-19(2)20-9-6-5-7-10-20/h5-13,15,19H,4,14,16-18H2,1-3H3,(H,26,30).
What are the key properties of 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[(2-methoxyacetyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42787354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).