1-(2-nitrophenyl)-3-propoxyurea

C10H13N3O4 — CID 5118634

IUPAC1-(2-nitrophenyl)-3-propoxyurea
SMILESCCCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-2-7-17-12-10(14)11-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14)
InChIKeyJNBJWLQEVHXZIO-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-nitrophenyl)-3-propoxyurea

1-(2-nitrophenyl)-3-propoxyurea (PubChem CID 5118634) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-propoxyurea.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-propoxyurea
PubChem CID5118634
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(2-nitrophenyl)-3-propoxyurea
SMILESCCCONC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O4/c1-2-7-17-12-10(14)11-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14)
InChIKeyJNBJWLQEVHXZIO-UHFFFAOYSA-N
XLogP2.06
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-nitrophenyl)-3-propoxyurea 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-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
1-(2-nitrophenyl)-3-propylurea
CID 31682023
propyl 2-(2-nitroanilino)acetate
CID 175410298
propyl N-(2-nitroanilino)carbamate
CID 68978781
N-(2-nitrophenyl)-6-(phenylcarbamoylamino)oxyhexanamide
CID 71521457
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
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
1-(2-nitrophenyl)-3-pentanimidoylurea
CID 152745637
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)-3-propoxyurea?
The IUPAC name of 1-(2-nitrophenyl)-3-propoxyurea (CID 5118634) is 1-(2-nitrophenyl)-3-propoxyurea.
What is the SMILES notation for 1-(2-nitrophenyl)-3-propoxyurea?
The canonical SMILES for 1-(2-nitrophenyl)-3-propoxyurea is CCCONC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)-3-propoxyurea?
The InChIKey is JNBJWLQEVHXZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-7-17-12-10(14)11-8-5-3-4-6-9(8)13(15)16/h3-6H,2,7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-nitrophenyl)-3-propoxyurea?
1-(2-nitrophenyl)-3-propoxyurea has a molecular weight of 239.23 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-propoxyurea is sourced from PubChem (CID 5118634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).