1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea

C17H19N3O3 — CID 24819046

IUPAC1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-14(15)18-17(22)20-19-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAJVWMVRCFYNJRV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea

1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 24819046) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID24819046
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCOc1ccccc1NC(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-14(15)18-17(22)20-19-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyAJVWMVRCFYNJRV-UHFFFAOYSA-N
XLogP2.48
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea (CID 24819046) is 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea is COc1ccccc1NC(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is AJVWMVRCFYNJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-15-10-6-5-9-14(15)18-17(22)20-19-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea?
1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 313.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 24819046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).