1-amino-3-[2-(4-phenylphenyl)ethyl]urea

C15H17N3O — CID 115192894

IUPAC1-amino-3-[2-(4-phenylphenyl)ethyl]urea
SMILESNNC(=O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c16-18-15(19)17-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H2,17,18,19)
InChIKeyFECWHZNTWAJGEQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.07
Rot. Bonds4

About 1-amino-3-[2-(4-phenylphenyl)ethyl]urea

1-amino-3-[2-(4-phenylphenyl)ethyl]urea (PubChem CID 115192894) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-amino-3-[2-(4-phenylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-(4-phenylphenyl)ethyl]urea
PubChem CID115192894
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-amino-3-[2-(4-phenylphenyl)ethyl]urea
SMILESNNC(=O)NCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c16-18-15(19)17-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H2,17,18,19)
InChIKeyFECWHZNTWAJGEQ-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-3-[2-(4-phenylphenyl)ethyl]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-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
1-amino-3-[2-(4-ethylsulfanylphenyl)ethyl]urea
CID 115192940
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-amino-3-(2-phenylethylamino)urea
CID 150752697
3-amino-3-[2-(4-phenylphenyl)ethylamino]propanoic acid
CID 174234287
3,4-bis[2-(4-phenylphenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961336
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(4-phenylphenyl)ethyl]urea?
The IUPAC name of 1-amino-3-[2-(4-phenylphenyl)ethyl]urea (CID 115192894) is 1-amino-3-[2-(4-phenylphenyl)ethyl]urea.
What is the SMILES notation for 1-amino-3-[2-(4-phenylphenyl)ethyl]urea?
The canonical SMILES for 1-amino-3-[2-(4-phenylphenyl)ethyl]urea is NNC(=O)NCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-amino-3-[2-(4-phenylphenyl)ethyl]urea?
The InChIKey is FECWHZNTWAJGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-18-15(19)17-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,16H2,(H2,17,18,19).
What are the key properties of 1-amino-3-[2-(4-phenylphenyl)ethyl]urea?
1-amino-3-[2-(4-phenylphenyl)ethyl]urea has a molecular weight of 255.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(4-phenylphenyl)ethyl]urea is sourced from PubChem (CID 115192894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).