1-ethoxy-3-(2-nitrophenyl)urea

C9H11N3O4 — CID 5118633

IUPAC1-ethoxy-3-(2-nitrophenyl)urea
SMILESCCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-2-16-11-9(13)10-7-5-3-4-6-8(7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyLUXLOCNYMAQNSA-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.67
Rot. Bonds4

About 1-ethoxy-3-(2-nitrophenyl)urea

1-ethoxy-3-(2-nitrophenyl)urea (PubChem CID 5118633) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-ethoxy-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-ethoxy-3-(2-nitrophenyl)urea
PubChem CID5118633
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-ethoxy-3-(2-nitrophenyl)urea
SMILESCCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-2-16-11-9(13)10-7-5-3-4-6-8(7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyLUXLOCNYMAQNSA-UHFFFAOYSA-N
XLogP1.67
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethoxy-3-(2-nitrophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-nitrophenyl)-3-propoxyurea
CID 5118634
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
1-(2-nitrophenyl)-3-propylurea
CID 31682023
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608
1-(2-nitrophenyl)-3-phenylurea
CID 4109613
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
CID 71521457
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-nitrophenyl)urea?
The IUPAC name of 1-ethoxy-3-(2-nitrophenyl)urea (CID 5118633) is 1-ethoxy-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-ethoxy-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-ethoxy-3-(2-nitrophenyl)urea is CCONC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-ethoxy-3-(2-nitrophenyl)urea?
The InChIKey is LUXLOCNYMAQNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-16-11-9(13)10-7-5-3-4-6-8(7)12(14)15/h3-6H,2H2,1H3,(H2,10,11,13).
What are the key properties of 1-ethoxy-3-(2-nitrophenyl)urea?
1-ethoxy-3-(2-nitrophenyl)urea has a molecular weight of 225.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-nitrophenyl)urea is sourced from PubChem (CID 5118633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).