1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea

C10H13N3O5 — CID 112696558

IUPAC1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
SMILESCOCCONC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O5/c1-17-6-7-18-12-10(14)11-8-2-4-9(5-3-8)13(15)16/h2-5H,6-7H2,1H3,(H2,11,12,14)
InChIKeySKKZDVDHCMUBNX-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.29
Rot. Bonds6

About 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea

1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea (PubChem CID 112696558) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
PubChem CID112696558
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea
SMILESCOCCONC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O5/c1-17-6-7-18-12-10(14)11-8-2-4-9(5-3-8)13(15)16/h2-5H,6-7H2,1H3,(H2,11,12,14)
InChIKeySKKZDVDHCMUBNX-UHFFFAOYSA-N
XLogP1.29
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyethoxy)-3-(4-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-[3-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)urea
CID 68651093
1-(3-methoxypropyl)-3-(4-nitrophenyl)thiourea
CID 8624584
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(2-methoxyethoxy)-1-(4-nitrophenyl)ethanamine
CID 82714520
1-(4-nitrophenyl)-3-[2-[2-[2-[2-[(4-nitrophenyl)carbamoylamino]ethoxy]ethoxy]ethoxy]ethyl]urea
CID 21205277
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
butyl N-(4-nitrophenyl)carbamate
CID 522878
2-fluoro-N-(2-methoxyethoxy)-5-nitrobenzamide
CID 82722467
2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
methyl 2-(methylamino)acetate;methyl N-(4-nitrophenyl)carbamate
CID 144799446

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea?
The IUPAC name of 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea (CID 112696558) is 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea is COCCONC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea?
The InChIKey is SKKZDVDHCMUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-17-6-7-18-12-10(14)11-8-2-4-9(5-3-8)13(15)16/h2-5H,6-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea?
1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea has a molecular weight of 255.23 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(4-nitrophenyl)urea is sourced from PubChem (CID 112696558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).