(phenoxyamino)urea

C7H9N3O2 — CID 67928510

IUPAC(phenoxyamino)urea
SMILESNC(=O)NNOc1ccccc1
InChIInChI=1S/C7H9N3O2/c8-7(11)9-10-12-6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,11)
InChIKeyGQZGKCJIZKAYQH-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.15
Rot. Bonds3

About (phenoxyamino)urea

(phenoxyamino)urea (PubChem CID 67928510) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (phenoxyamino)urea.

Molecular Properties

Compound Name(phenoxyamino)urea
PubChem CID67928510
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(phenoxyamino)urea
SMILESNC(=O)NNOc1ccccc1
InChIInChI=1S/C7H9N3O2/c8-7(11)9-10-12-6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,11)
InChIKeyGQZGKCJIZKAYQH-UHFFFAOYSA-N
XLogP0.15
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.15
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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Related Compounds

(phenylmethoxyamino)urea
CID 67928507
tert-butyl N-(phenoxyamino)carbamate
CID 22887615
phenol;N-phenoxyacetamide
CID 174815044
3-(phenoxyamino)prop-2-enamide
CID 91585348
2,2-dimethyl-N-phenoxypropanamide
CID 20584483
2,2,2-trifluoro-N-phenoxyacetamide
CID 86124440
benzyl N-(carbamoylamino)carbamate
CID 141421180
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine
CID 160787264
(2-carbamoylhydrazinyl) hydrogen carbonate
CID 87781235
2-(2-phenoxyhydrazinyl)phenol
CID 163979907
(2S)-2-(phenoxyamino)propanoic acid
CID 88593893

Frequently Asked Questions

What is the IUPAC name of (phenoxyamino)urea?
The IUPAC name of (phenoxyamino)urea (CID 67928510) is (phenoxyamino)urea.
What is the SMILES notation for (phenoxyamino)urea?
The canonical SMILES for (phenoxyamino)urea is NC(=O)NNOc1ccccc1.
What is the InChIKey of (phenoxyamino)urea?
The InChIKey is GQZGKCJIZKAYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)9-10-12-6-4-2-1-3-5-6/h1-5,10H,(H3,8,9,11).
What are the key properties of (phenoxyamino)urea?
(phenoxyamino)urea has a molecular weight of 167.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (phenoxyamino)urea is sourced from PubChem (CID 67928510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).