2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione

C20H22N2O4 — CID 4241718

IUPAC2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
SMILESCN(C)c1ccc(C2C(=O)C(c3ccc(N(C)C)cc3O)C2=O)c(O)c1
InChIInChI=1S/C20H22N2O4/c1-21(2)11-5-7-13(15(23)9-11)17-19(25)18(20(17)26)14-8-6-12(22(3)4)10-16(14)24/h5-10,17-18,23-24H,1-4H3
InChIKeyKYDLAJMCZAQJGW-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.25
Rot. Bonds4

About 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione

2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione (PubChem CID 4241718) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione.

Molecular Properties

Compound Name2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
PubChem CID4241718
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione
SMILESCN(C)c1ccc(C2C(=O)C(c3ccc(N(C)C)cc3O)C2=O)c(O)c1
InChIInChI=1S/C20H22N2O4/c1-21(2)11-5-7-13(15(23)9-11)17-19(25)18(20(17)26)14-8-6-12(22(3)4)10-16(14)24/h5-10,17-18,23-24H,1-4H3
InChIKeyKYDLAJMCZAQJGW-UHFFFAOYSA-N
XLogP2.25
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione?
The IUPAC name of 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione (CID 4241718) is 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione.
What is the SMILES notation for 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione?
The canonical SMILES for 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione is CN(C)c1ccc(C2C(=O)C(c3ccc(N(C)C)cc3O)C2=O)c(O)c1.
What is the InChIKey of 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione?
The InChIKey is KYDLAJMCZAQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-21(2)11-5-7-13(15(23)9-11)17-19(25)18(20(17)26)14-8-6-12(22(3)4)10-16(14)24/h5-10,17-18,23-24H,1-4H3.
What are the key properties of 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione?
2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione has a molecular weight of 354.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(dimethylamino)-2-hydroxyphenyl]cyclobutane-1,3-dione is sourced from PubChem (CID 4241718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).