3-(4-aminophenyl)-1,1-dipropylurea

C13H21N3O — CID 43468918

IUPAC3-(4-aminophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-3-9-16(10-4-2)13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyPFZQXADTNWAUJJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.92
Rot. Bonds5

About 3-(4-aminophenyl)-1,1-dipropylurea

3-(4-aminophenyl)-1,1-dipropylurea (PubChem CID 43468918) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(4-aminophenyl)-1,1-dipropylurea
PubChem CID43468918
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4-aminophenyl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-3-9-16(10-4-2)13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyPFZQXADTNWAUJJ-UHFFFAOYSA-N
XLogP2.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.92
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 3-(4-aminophenyl)-1,1-dipropylurea 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-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
2-[4-(dipropylcarbamoylamino)phenoxy]acetic acid
CID 63770820
3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-(4-aminophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61425121
3-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110890683
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
methyl 2-[(4-methoxyphenyl)carbamoyl-propylamino]acetate
CID 60969496

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1,1-dipropylurea?
The IUPAC name of 3-(4-aminophenyl)-1,1-dipropylurea (CID 43468918) is 3-(4-aminophenyl)-1,1-dipropylurea.
What is the SMILES notation for 3-(4-aminophenyl)-1,1-dipropylurea?
The canonical SMILES for 3-(4-aminophenyl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1,1-dipropylurea?
The InChIKey is PFZQXADTNWAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-9-16(10-4-2)13(17)15-12-7-5-11(14)6-8-12/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-aminophenyl)-1,1-dipropylurea?
3-(4-aminophenyl)-1,1-dipropylurea has a molecular weight of 235.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1,1-dipropylurea is sourced from PubChem (CID 43468918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).