3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione

C18H26N4O4 — CID 53369664

IUPAC3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCNc1c(NCC(c2ccco2)N2CCOCC2)c(=O)c1=O
InChIInChI=1S/C18H26N4O4/c1-21(2)6-5-19-15-16(18(24)17(15)23)20-12-13(14-4-3-9-26-14)22-7-10-25-11-8-22/h3-4,9,13,19-20H,5-8,10-12H2,1-2H3
InChIKeyIPQCUWWLUJWALK-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.33
Rot. Bonds9

About 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione

3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 53369664) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione
PubChem CID53369664
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCNc1c(NCC(c2ccco2)N2CCOCC2)c(=O)c1=O
InChIInChI=1S/C18H26N4O4/c1-21(2)6-5-19-15-16(18(24)17(15)23)20-12-13(14-4-3-9-26-14)22-7-10-25-11-8-22/h3-4,9,13,19-20H,5-8,10-12H2,1-2H3
InChIKeyIPQCUWWLUJWALK-UHFFFAOYSA-N
XLogP0.33
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 121036180
3-[2-(dimethylamino)ethylamino]-4-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 98232928
3-[[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 98232979
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 7243445
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]-1-(4-methylphenyl)ethanone
CID 110825984
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
3-[2-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]acetyl]-N,N-dimethylbenzenesulfonamide
CID 110828918
N'-cyclohexyl-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217165
3-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 98231510
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione (CID 53369664) is 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione is CN(C)CCNc1c(NCC(c2ccco2)N2CCOCC2)c(=O)c1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione?
The InChIKey is IPQCUWWLUJWALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-21(2)6-5-19-15-16(18(24)17(15)23)20-12-13(14-4-3-9-26-14)22-7-10-25-11-8-22/h3-4,9,13,19-20H,5-8,10-12H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione?
3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 362.43 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 53369664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).