(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide

C17H20N2O5 — CID 167883532

IUPAC(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H20N2O5/c1-12(20)19-9-13(21)8-16(19)17(22)18(10-14-4-2-6-23-14)11-15-5-3-7-24-15/h2-7,13,16,21H,8-11H2,1H3/t13-,16-/m1/s1
InChIKeyRKKFNKZMWMVOEO-CZUORRHYSA-N
MW332.36 g/mol
LogP1.38
Rot. Bonds5

About (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 167883532) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID167883532
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H20N2O5/c1-12(20)19-9-13(21)8-16(19)17(22)18(10-14-4-2-6-23-14)11-15-5-3-7-24-15/h2-7,13,16,21H,8-11H2,1H3/t13-,16-/m1/s1
InChIKeyRKKFNKZMWMVOEO-CZUORRHYSA-N
XLogP1.38
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842705
1-[3-(furan-2-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43209855
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4-hydroxy-1-[1-(oxan-4-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 171154222
trans-(1S,2S)-N-benzyl-N-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 94823542
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882
(3S)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767495
(3R)-N,N-bis(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767497
N-benzyl-N-(furan-2-ylmethyl)cyclopentanecarboxamide
CID 52894765
(2R,4S)-1-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138828
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]-4-methylmorpholine-2-carboxamide
CID 71857943

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide (CID 167883532) is (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide is CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is RKKFNKZMWMVOEO-CZUORRHYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-12(20)19-9-13(21)8-16(19)17(22)18(10-14-4-2-6-23-14)11-15-5-3-7-24-15/h2-7,13,16,21H,8-11H2,1H3/t13-,16-/m1/s1.
What are the key properties of (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-acetyl-N,N-bis(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 167883532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).