1-(4-aminophenyl)-3-ethyl-1-propylurea

C12H19N3O — CID 63234160

IUPAC1-(4-aminophenyl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-3-9-15(12(16)14-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyWENJZZYIWQBTLW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-aminophenyl)-3-ethyl-1-propylurea

1-(4-aminophenyl)-3-ethyl-1-propylurea (PubChem CID 63234160) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-ethyl-1-propylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-ethyl-1-propylurea
PubChem CID63234160
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(4-aminophenyl)-3-ethyl-1-propylurea
SMILESCCCN(C(=O)NCC)c1ccc(N)cc1
InChIInChI=1S/C12H19N3O/c1-3-9-15(12(16)14-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16)
InChIKeyWENJZZYIWQBTLW-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)-3-ethyl-1-propylurea 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-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(4-aminophenyl)-2-methoxy-N-propylacetamide
CID 63233545
N-(4-aminophenyl)-N,2-dipropylpentanamide
CID 82983981
1-(4-aminophenyl)-3-(3-fluorophenyl)-1-propylurea
CID 63233553
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
CID 88654343
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
CID 65206351
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
N-(4-aminophenyl)-3-chloro-4-methyl-N-propylbenzamide
CID 63233676

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-ethyl-1-propylurea?
The IUPAC name of 1-(4-aminophenyl)-3-ethyl-1-propylurea (CID 63234160) is 1-(4-aminophenyl)-3-ethyl-1-propylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-ethyl-1-propylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-ethyl-1-propylurea is CCCN(C(=O)NCC)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-ethyl-1-propylurea?
The InChIKey is WENJZZYIWQBTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-15(12(16)14-4-2)11-7-5-10(13)6-8-11/h5-8H,3-4,9,13H2,1-2H3,(H,14,16).
What are the key properties of 1-(4-aminophenyl)-3-ethyl-1-propylurea?
1-(4-aminophenyl)-3-ethyl-1-propylurea has a molecular weight of 221.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-ethyl-1-propylurea is sourced from PubChem (CID 63234160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).