1-(2-aminophenyl)-3-benzyl-1-propylurea

C17H21N3O — CID 107653018

IUPAC1-(2-aminophenyl)-3-benzyl-1-propylurea
SMILESCCCN(C(=O)NCc1ccccc1)c1ccccc1N
InChIInChI=1S/C17H21N3O/c1-2-12-20(16-11-7-6-10-15(16)18)17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyBIYRWUQNUJBYDL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-aminophenyl)-3-benzyl-1-propylurea

1-(2-aminophenyl)-3-benzyl-1-propylurea (PubChem CID 107653018) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-benzyl-1-propylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-benzyl-1-propylurea
PubChem CID107653018
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(2-aminophenyl)-3-benzyl-1-propylurea
SMILESCCCN(C(=O)NCc1ccccc1)c1ccccc1N
InChIInChI=1S/C17H21N3O/c1-2-12-20(16-11-7-6-10-15(16)18)17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13,18H2,1H3,(H,19,21)
InChIKeyBIYRWUQNUJBYDL-UHFFFAOYSA-N
XLogP3.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
3-benzyl-1-hydroxy-1-methylurea
CID 22900753

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-benzyl-1-propylurea?
The IUPAC name of 1-(2-aminophenyl)-3-benzyl-1-propylurea (CID 107653018) is 1-(2-aminophenyl)-3-benzyl-1-propylurea.
What is the SMILES notation for 1-(2-aminophenyl)-3-benzyl-1-propylurea?
The canonical SMILES for 1-(2-aminophenyl)-3-benzyl-1-propylurea is CCCN(C(=O)NCc1ccccc1)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-benzyl-1-propylurea?
The InChIKey is BIYRWUQNUJBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-12-20(16-11-7-6-10-15(16)18)17(21)19-13-14-8-4-3-5-9-14/h3-11H,2,12-13,18H2,1H3,(H,19,21).
What are the key properties of 1-(2-aminophenyl)-3-benzyl-1-propylurea?
1-(2-aminophenyl)-3-benzyl-1-propylurea has a molecular weight of 283.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-benzyl-1-propylurea is sourced from PubChem (CID 107653018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).