benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium

C19H28N2O3Y-2 — CID 58099935

IUPACbenzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium
SMILES[CH2-]CC(CC)NC(=O)NC(CCC(C)=O)C(C)=O.[Y].[c-]1ccccc1
InChIInChI=1S/C13H23N2O3.C6H5.Y/c1-5-11(6-2)14-13(18)15-12(10(4)17)8-7-9(3)16;1-2-4-6-5-3-1;/h11-12H,1,5-8H2,2-4H3,(H2,14,15,18);1-5H;/q2*-1;
InChIKeyYIBLFVBWBSXCPD-UHFFFAOYSA-N
MW421.35 g/mol
LogP3.10
Rot. Bonds8

About benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium

benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium (PubChem CID 58099935) has the molecular formula C19H28N2O3Y-2 and a molecular weight of 421.35 g/mol. Its IUPAC name is benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium.

Molecular Properties

Compound Namebenzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium
PubChem CID58099935
Molecular FormulaC19H28N2O3Y-2
Molecular Weight421.35 g/mol
Exact Mass421.12
IUPAC Namebenzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium
SMILES[CH2-]CC(CC)NC(=O)NC(CCC(C)=O)C(C)=O.[Y].[c-]1ccccc1
InChIInChI=1S/C13H23N2O3.C6H5.Y/c1-5-11(6-2)14-13(18)15-12(10(4)17)8-7-9(3)16;1-2-4-6-5-3-1;/h11-12H,1,5-8H2,2-4H3,(H2,14,15,18);1-5H;/q2*-1;
InChIKeyYIBLFVBWBSXCPD-UHFFFAOYSA-N
XLogP3.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium 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 benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium?
The IUPAC name of benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium (CID 58099935) is benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium.
What is the SMILES notation for benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium?
The canonical SMILES for benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium is [CH2-]CC(CC)NC(=O)NC(CCC(C)=O)C(C)=O.[Y].[c-]1ccccc1.
What is the InChIKey of benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium?
The InChIKey is YIBLFVBWBSXCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O3.C6H5.Y/c1-5-11(6-2)14-13(18)15-12(10(4)17)8-7-9(3)16;1-2-4-6-5-3-1;/h11-12H,1,5-8H2,2-4H3,(H2,14,15,18);1-5H;/q2*-1;.
What are the key properties of benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium?
benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium has a molecular weight of 421.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(2,6-dioxoheptan-3-yl)-3-pentan-3-ylurea;yttrium is sourced from PubChem (CID 58099935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).