1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea

C17H17N3O2 — CID 2838963

IUPAC1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC1c1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(15-11-14(15)12-7-3-1-4-8-12)19-20-17(22)18-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,21)(H2,18,20,22)
InChIKeyJUSNOMZKMFSVBU-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.64
Rot. Bonds3

About 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea

1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea (PubChem CID 2838963) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea
PubChem CID2838963
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea
SMILESO=C(NNC(=O)C1CC1c1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H17N3O2/c21-16(15-11-14(15)12-7-3-1-4-8-12)19-20-17(22)18-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,21)(H2,18,20,22)
InChIKeyJUSNOMZKMFSVBU-UHFFFAOYSA-N
XLogP2.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
The IUPAC name of 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea (CID 2838963) is 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
The canonical SMILES for 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea is O=C(NNC(=O)C1CC1c1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
The InChIKey is JUSNOMZKMFSVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-16(15-11-14(15)12-7-3-1-4-8-12)19-20-17(22)18-13-9-5-2-6-10-13/h1-10,14-15H,11H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea?
1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea has a molecular weight of 295.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(2-phenylcyclopropanecarbonyl)amino]urea is sourced from PubChem (CID 2838963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).