1-anilino-3-(2-oxoethyl)urea

C9H11N3O2 — CID 54004429

IUPAC1-anilino-3-(2-oxoethyl)urea
SMILESO=CCNC(=O)NNc1ccccc1
InChIInChI=1S/C9H11N3O2/c13-7-6-10-9(14)12-11-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,10,12,14)
InChIKeyASAWMBPHNFVVOT-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds4

About 1-anilino-3-(2-oxoethyl)urea

1-anilino-3-(2-oxoethyl)urea (PubChem CID 54004429) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-anilino-3-(2-oxoethyl)urea.

Molecular Properties

Compound Name1-anilino-3-(2-oxoethyl)urea
PubChem CID54004429
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-anilino-3-(2-oxoethyl)urea
SMILESO=CCNC(=O)NNc1ccccc1
InChIInChI=1S/C9H11N3O2/c13-7-6-10-9(14)12-11-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,10,12,14)
InChIKeyASAWMBPHNFVVOT-UHFFFAOYSA-N
XLogP0.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-3-ethylurea
CID 67472651
1-anilino-3-hydroxyurea
CID 2763972
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-anilino-3-methylurea;ethane
CID 143768639
1-N',8-N'-diphenyloctanedihydrazide
CID 14872757
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-anilino-3-tert-butylurea
CID 12537941
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
N-anilinocarbamoyl chloride
CID 57449233
N'-phenylprop-2-enehydrazide
CID 21179187
3-oxo-3-(2-phenylhydrazinyl)propanoic acid;hydrochloride
CID 174791706
2-fluoro-N'-phenylacetohydrazide
CID 16862

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-oxoethyl)urea?
The IUPAC name of 1-anilino-3-(2-oxoethyl)urea (CID 54004429) is 1-anilino-3-(2-oxoethyl)urea.
What is the SMILES notation for 1-anilino-3-(2-oxoethyl)urea?
The canonical SMILES for 1-anilino-3-(2-oxoethyl)urea is O=CCNC(=O)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-(2-oxoethyl)urea?
The InChIKey is ASAWMBPHNFVVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-7-6-10-9(14)12-11-8-4-2-1-3-5-8/h1-5,7,11H,6H2,(H2,10,12,14).
What are the key properties of 1-anilino-3-(2-oxoethyl)urea?
1-anilino-3-(2-oxoethyl)urea has a molecular weight of 193.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-oxoethyl)urea is sourced from PubChem (CID 54004429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).