trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide

C23H32N4O5 — CID 124726367

IUPACtrans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1
InChIInChI=1S/C23H32N4O5/c1-26(2)18(20-7-5-9-31-20)13-24-22(29)16-11-15(28)12-17(16)23(30)25-14-19(27(3)4)21-8-6-10-32-21/h5-10,16-19H,11-14H2,1-4H3,(H,24,29)(H,25,30)/t16-,17-,18-,19+/m1/s1
InChIKeyBUESQAGEPDYOBN-MKXGPGLRSA-N
MW444.53 g/mol
LogP1.61
Rot. Bonds10

About trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide

trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide (PubChem CID 124726367) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
PubChem CID124726367
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Nametrans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
SMILESCN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1
InChIInChI=1S/C23H32N4O5/c1-26(2)18(20-7-5-9-31-20)13-24-22(29)16-11-15(28)12-17(16)23(30)25-14-19(27(3)4)21-8-6-10-32-21/h5-10,16-19H,11-14H2,1-4H3,(H,24,29)(H,25,30)/t16-,17-,18-,19+/m1/s1
InChIKeyBUESQAGEPDYOBN-MKXGPGLRSA-N
XLogP1.61
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78983486
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95132102
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61249232
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454031
N'-cyclopentyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 18589097
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide (CID 124726367) is trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide is CN(C)[C@H](CNC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC[C@@H](c1ccco1)N(C)C)c1ccco1.
What is the InChIKey of trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide?
The InChIKey is BUESQAGEPDYOBN-MKXGPGLRSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-26(2)18(20-7-5-9-31-20)13-24-22(29)16-11-15(28)12-17(16)23(30)25-14-19(27(3)4)21-8-6-10-32-21/h5-10,16-19H,11-14H2,1-4H3,(H,24,29)(H,25,30)/t16-,17-,18-,19+/m1/s1.
What are the key properties of trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide?
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide has a molecular weight of 444.53 g/mol, XLogP of 1.61, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 124726367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).