1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium

C11H16N3OPd- — CID 87890437

IUPAC1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium
SMILESCN(C)CCNC(=O)Nc1c[c-]ccc1.[Pd]
InChIInChI=1S/C11H16N3O.Pd/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10;/h3-4,6-7H,8-9H2,1-2H3,(H2,12,13,15);/q-1;
InChIKeyVFEONZFINQUMMJ-UHFFFAOYSA-N
MW312.69 g/mol
LogP1.17
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium

1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium (PubChem CID 87890437) has the molecular formula C11H16N3OPd- and a molecular weight of 312.69 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium
PubChem CID87890437
Molecular FormulaC11H16N3OPd-
Molecular Weight312.69 g/mol
Exact Mass312.03
IUPAC Name1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium
SMILESCN(C)CCNC(=O)Nc1c[c-]ccc1.[Pd]
InChIInChI=1S/C11H16N3O.Pd/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10;/h3-4,6-7H,8-9H2,1-2H3,(H2,12,13,15);/q-1;
InChIKeyVFEONZFINQUMMJ-UHFFFAOYSA-N
XLogP1.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.69
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium (CID 87890437) is 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium is CN(C)CCNC(=O)Nc1c[c-]ccc1.[Pd].
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium?
The InChIKey is VFEONZFINQUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3O.Pd/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10;/h3-4,6-7H,8-9H2,1-2H3,(H2,12,13,15);/q-1;.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium?
1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium has a molecular weight of 312.69 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-phenylurea;palladium is sourced from PubChem (CID 87890437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).