3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea

C12H19N3O2 — CID 54948448

IUPAC3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
SMILESCCN(CCOC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O2/c1-3-15(8-9-17-2)12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyPVGCEUWXXFWSSV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds5

About 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea

3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea (PubChem CID 54948448) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
PubChem CID54948448
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
SMILESCCN(CCOC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H19N3O2/c1-3-15(8-9-17-2)12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyPVGCEUWXXFWSSV-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)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

3-(4-aminophenyl)-1,1-dipropylurea
CID 43468918
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
N-(4-aminophenyl)-4-[ethyl(2-methoxyethyl)amino]butanamide
CID 61444637
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209438
2-bromo-5-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 115296787
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745
2-[(4-carbamoylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271811
1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
CID 82354382
N-ethyl-4-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62248057
1-[bis(2-methoxyethyl)carbamoylamino]-4-fluorosulfonyloxybenzene
CID 154872347
methyl 3-[(4-aminobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115532929
N-(4-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]propanamide
CID 61450272

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea (CID 54948448) is 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea is CCN(CCOC)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea?
The InChIKey is PVGCEUWXXFWSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15(8-9-17-2)12(16)14-11-6-4-10(13)5-7-11/h4-7H,3,8-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea?
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea is sourced from PubChem (CID 54948448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).