2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide

C21H29N3O2 — CID 119107045

IUPAC2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NCc1ccco1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H29N3O2/c1-2-3-11-20(22-16-19-10-7-14-26-19)21(25)23-17-8-6-9-18(15-17)24-12-4-5-13-24/h6-10,14-15,20,22H,2-5,11-13,16H2,1H3,(H,23,25)
InChIKeyCWBPISMMFQOHLX-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.17
Rot. Bonds9

About 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide

2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide (PubChem CID 119107045) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
PubChem CID119107045
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NCc1ccco1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H29N3O2/c1-2-3-11-20(22-16-19-10-7-14-26-19)21(25)23-17-8-6-9-18(15-17)24-12-4-5-13-24/h6-10,14-15,20,22H,2-5,11-13,16H2,1H3,(H,23,25)
InChIKeyCWBPISMMFQOHLX-UHFFFAOYSA-N
XLogP4.17
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
N-(3-pyrrolidin-1-ylphenyl)-2-(1H-pyrrol-3-ylmethylamino)pentanamide
CID 71857290
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 119107208
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide (CID 119107045) is 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide is CCCCC(NCc1ccco1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The InChIKey is CWBPISMMFQOHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-3-11-20(22-16-19-10-7-14-26-19)21(25)23-17-8-6-9-18(15-17)24-12-4-5-13-24/h6-10,14-15,20,22H,2-5,11-13,16H2,1H3,(H,23,25).
What are the key properties of 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide has a molecular weight of 355.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide is sourced from PubChem (CID 119107045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).