1-acetamido-3-(dimethylamino)urea

C5H12N4O2 — CID 23526158

IUPAC1-acetamido-3-(dimethylamino)urea
SMILESCC(=O)NNC(=O)NN(C)C
InChIInChI=1S/C5H12N4O2/c1-4(10)6-7-5(11)8-9(2)3/h1-3H3,(H,6,10)(H2,7,8,11)
InChIKeyZSDJPVXJZZMJQM-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.19
Rot. Bonds1

About 1-acetamido-3-(dimethylamino)urea

1-acetamido-3-(dimethylamino)urea (PubChem CID 23526158) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-acetamido-3-(dimethylamino)urea.

Molecular Properties

Compound Name1-acetamido-3-(dimethylamino)urea
PubChem CID23526158
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name1-acetamido-3-(dimethylamino)urea
SMILESCC(=O)NNC(=O)NN(C)C
InChIInChI=1S/C5H12N4O2/c1-4(10)6-7-5(11)8-9(2)3/h1-3H3,(H,6,10)(H2,7,8,11)
InChIKeyZSDJPVXJZZMJQM-UHFFFAOYSA-N
XLogP-1.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-3-(dimethylamino)urea?
The IUPAC name of 1-acetamido-3-(dimethylamino)urea (CID 23526158) is 1-acetamido-3-(dimethylamino)urea.
What is the SMILES notation for 1-acetamido-3-(dimethylamino)urea?
The canonical SMILES for 1-acetamido-3-(dimethylamino)urea is CC(=O)NNC(=O)NN(C)C.
What is the InChIKey of 1-acetamido-3-(dimethylamino)urea?
The InChIKey is ZSDJPVXJZZMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-4(10)6-7-5(11)8-9(2)3/h1-3H3,(H,6,10)(H2,7,8,11).
What are the key properties of 1-acetamido-3-(dimethylamino)urea?
1-acetamido-3-(dimethylamino)urea has a molecular weight of 160.18 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-(dimethylamino)urea is sourced from PubChem (CID 23526158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).