1-acetamido-1,3-dimethylurea

C5H11N3O2 — CID 101207103

IUPAC1-acetamido-1,3-dimethylurea
SMILESCNC(=O)N(C)NC(C)=O
InChIInChI=1S/C5H11N3O2/c1-4(9)7-8(3)5(10)6-2/h1-3H3,(H,6,10)(H,7,9)
InChIKeyUDUDHLBQAHSQFO-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.69
Rot. Bonds

About 1-acetamido-1,3-dimethylurea

1-acetamido-1,3-dimethylurea (PubChem CID 101207103) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-acetamido-1,3-dimethylurea.

Molecular Properties

Compound Name1-acetamido-1,3-dimethylurea
PubChem CID101207103
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name1-acetamido-1,3-dimethylurea
SMILESCNC(=O)N(C)NC(C)=O
InChIInChI=1S/C5H11N3O2/c1-4(9)7-8(3)5(10)6-2/h1-3H3,(H,6,10)(H,7,9)
InChIKeyUDUDHLBQAHSQFO-UHFFFAOYSA-N
XLogP-0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-1,3-dimethylurea?
The IUPAC name of 1-acetamido-1,3-dimethylurea (CID 101207103) is 1-acetamido-1,3-dimethylurea.
What is the SMILES notation for 1-acetamido-1,3-dimethylurea?
The canonical SMILES for 1-acetamido-1,3-dimethylurea is CNC(=O)N(C)NC(C)=O.
What is the InChIKey of 1-acetamido-1,3-dimethylurea?
The InChIKey is UDUDHLBQAHSQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-4(9)7-8(3)5(10)6-2/h1-3H3,(H,6,10)(H,7,9).
What are the key properties of 1-acetamido-1,3-dimethylurea?
1-acetamido-1,3-dimethylurea has a molecular weight of 145.16 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-1,3-dimethylurea is sourced from PubChem (CID 101207103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).