1-anilino-3-ethylurea

C9H13N3O — CID 67472651

IUPAC1-anilino-3-ethylurea
SMILESCCNC(=O)NNc1ccccc1
InChIInChI=1S/C9H13N3O/c1-2-10-9(13)12-11-8-6-4-3-5-7-8/h3-7,11H,2H2,1H3,(H2,10,12,13)
InChIKeyLWTAMHNNFFPYKX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About 1-anilino-3-ethylurea

1-anilino-3-ethylurea (PubChem CID 67472651) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-anilino-3-ethylurea.

Molecular Properties

Compound Name1-anilino-3-ethylurea
PubChem CID67472651
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-anilino-3-ethylurea
SMILESCCNC(=O)NNc1ccccc1
InChIInChI=1S/C9H13N3O/c1-2-10-9(13)12-11-8-6-4-3-5-7-8/h3-7,11H,2H2,1H3,(H2,10,12,13)
InChIKeyLWTAMHNNFFPYKX-UHFFFAOYSA-N
XLogP1.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-anilino-3-(2-oxoethyl)urea
CID 54004429
1-anilino-3-methylurea;ethane
CID 143768639
1-anilino-3-hydroxyurea
CID 2763972
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
1-anilino-3-tert-butylurea
CID 12537941
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1-ethyl-3-phenylurea;N-ethylpropan-1-amine
CID 70474820
N-(ethylcarbamoyl)benzamide
CID 23273840
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
N-anilinocarbamoyl chloride
CID 57449233
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-ethylurea?
The IUPAC name of 1-anilino-3-ethylurea (CID 67472651) is 1-anilino-3-ethylurea.
What is the SMILES notation for 1-anilino-3-ethylurea?
The canonical SMILES for 1-anilino-3-ethylurea is CCNC(=O)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-ethylurea?
The InChIKey is LWTAMHNNFFPYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-10-9(13)12-11-8-6-4-3-5-7-8/h3-7,11H,2H2,1H3,(H2,10,12,13).
What are the key properties of 1-anilino-3-ethylurea?
1-anilino-3-ethylurea has a molecular weight of 179.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-ethylurea is sourced from PubChem (CID 67472651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).