3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione

C15H26N4O4 — CID 53369685

IUPAC3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCNc1c(NCC(O)CN2CCOCC2)c(=O)c1=O
InChIInChI=1S/C15H26N4O4/c1-18(2)4-3-16-12-13(15(22)14(12)21)17-9-11(20)10-19-5-7-23-8-6-19/h11,16-17,20H,3-10H2,1-2H3
InChIKeyWMPHDWVJFLIECD-UHFFFAOYSA-N
MW326.40 g/mol
LogP-1.64
Rot. Bonds9

About 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione

3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione (PubChem CID 53369685) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione
PubChem CID53369685
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCNc1c(NCC(O)CN2CCOCC2)c(=O)c1=O
InChIInChI=1S/C15H26N4O4/c1-18(2)4-3-16-12-13(15(22)14(12)21)17-9-11(20)10-19-5-7-23-8-6-19/h11,16-17,20H,3-10H2,1-2H3
InChIKeyWMPHDWVJFLIECD-UHFFFAOYSA-N
XLogP-1.64
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione with MolForge

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Related Compounds

3-[2-(dimethylamino)ethylamino]-4-[[2-(furan-2-yl)-2-morpholin-4-ylethyl]amino]cyclobut-3-ene-1,2-dione
CID 53369664
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383205
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-(3-bromo-4-methylanilino)-3-morpholin-4-ylpropan-2-ol
CID 63333868
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione (CID 53369685) is 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione is CN(C)CCNc1c(NCC(O)CN2CCOCC2)c(=O)c1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione?
The InChIKey is WMPHDWVJFLIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-18(2)4-3-16-12-13(15(22)14(12)21)17-9-11(20)10-19-5-7-23-8-6-19/h11,16-17,20H,3-10H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione?
3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione has a molecular weight of 326.40 g/mol, XLogP of -1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 53369685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).