1-ethyl-3-(2-methoxy-5-nitrophenyl)urea

C10H13N3O4 — CID 75412823

IUPAC1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
SMILESCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H13N3O4/c1-3-11-10(14)12-8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3H2,1-2H3,(H2,11,12,14)
InChIKeyGELCFHWTRFWAHP-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.74
Rot. Bonds4

About 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea

1-ethyl-3-(2-methoxy-5-nitrophenyl)urea (PubChem CID 75412823) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
PubChem CID75412823
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
SMILESCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C10H13N3O4/c1-3-11-10(14)12-8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3H2,1-2H3,(H2,11,12,14)
InChIKeyGELCFHWTRFWAHP-UHFFFAOYSA-N
XLogP1.74
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.74
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'}

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Related Compounds

1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
1-[(4-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108890892
2-hydroxy-3-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 66165701
1-[(2-ethoxyphenoxy)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108877389
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
1-[(3-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108898973
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 19258999
1-[2-(4-fluorophenoxy)ethyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 47031754

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea?
The IUPAC name of 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea (CID 75412823) is 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea?
The canonical SMILES for 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea is CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea?
The InChIKey is GELCFHWTRFWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-11-10(14)12-8-6-7(13(15)16)4-5-9(8)17-2/h4-6H,3H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea?
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea has a molecular weight of 239.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxy-5-nitrophenyl)urea is sourced from PubChem (CID 75412823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).