1-amino-3-(2-ethylphenyl)urea

C9H13N3O — CID 43164101

IUPAC1-amino-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NN
InChIInChI=1S/C9H13N3O/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyPDCGUTYPGMHDEG-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.24
Rot. Bonds2

About 1-amino-3-(2-ethylphenyl)urea

1-amino-3-(2-ethylphenyl)urea (PubChem CID 43164101) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-amino-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-amino-3-(2-ethylphenyl)urea
PubChem CID43164101
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-amino-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)NN
InChIInChI=1S/C9H13N3O/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChIKeyPDCGUTYPGMHDEG-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethylphenyl)urea?
The IUPAC name of 1-amino-3-(2-ethylphenyl)urea (CID 43164101) is 1-amino-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-amino-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-amino-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)NN.
What is the InChIKey of 1-amino-3-(2-ethylphenyl)urea?
The InChIKey is PDCGUTYPGMHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-ethylphenyl)urea?
1-amino-3-(2-ethylphenyl)urea has a molecular weight of 179.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethylphenyl)urea is sourced from PubChem (CID 43164101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).