1-(carbamoylamino)-3-phenylurea

C8H10N4O2 — CID 792759

IUPAC1-(carbamoylamino)-3-phenylurea
SMILESNC(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N4O2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h1-5H,(H3,9,11,13)(H2,10,12,14)
InChIKeyIPHUWLIAKXSGLC-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.39
Rot. Bonds1

About 1-(carbamoylamino)-3-phenylurea

1-(carbamoylamino)-3-phenylurea (PubChem CID 792759) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(carbamoylamino)-3-phenylurea.

Molecular Properties

Compound Name1-(carbamoylamino)-3-phenylurea
PubChem CID792759
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-(carbamoylamino)-3-phenylurea
SMILESNC(=O)NNC(=O)Nc1ccccc1
InChIInChI=1S/C8H10N4O2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h1-5H,(H3,9,11,13)(H2,10,12,14)
InChIKeyIPHUWLIAKXSGLC-UHFFFAOYSA-N
XLogP0.39
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.39
H-Bond Donors ≤ 54
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-(carbamoylamino)-3-phenylurea?
The IUPAC name of 1-(carbamoylamino)-3-phenylurea (CID 792759) is 1-(carbamoylamino)-3-phenylurea.
What is the SMILES notation for 1-(carbamoylamino)-3-phenylurea?
The canonical SMILES for 1-(carbamoylamino)-3-phenylurea is NC(=O)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(carbamoylamino)-3-phenylurea?
The InChIKey is IPHUWLIAKXSGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-7(13)11-12-8(14)10-6-4-2-1-3-5-6/h1-5H,(H3,9,11,13)(H2,10,12,14).
What are the key properties of 1-(carbamoylamino)-3-phenylurea?
1-(carbamoylamino)-3-phenylurea has a molecular weight of 194.19 g/mol, XLogP of 0.39, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-3-phenylurea is sourced from PubChem (CID 792759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).