1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea

C17H19N3O2 — CID 24818639

IUPAC1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCc1cccc(NC(=O)NNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-9-15(12-13)18-17(22)20-19-16(21)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyMJORBKJGLFCJKJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds4

About 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea

1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 24818639) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID24818639
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCc1cccc(NC(=O)NNC(=O)CCc2ccccc2)c1
InChIInChI=1S/C17H19N3O2/c1-13-6-5-9-15(12-13)18-17(22)20-19-16(21)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H2,18,20,22)
InChIKeyMJORBKJGLFCJKJ-UHFFFAOYSA-N
XLogP2.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.78
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-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea (CID 24818639) is 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea is Cc1cccc(NC(=O)NNC(=O)CCc2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is MJORBKJGLFCJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-6-5-9-15(12-13)18-17(22)20-19-16(21)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea?
1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 297.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 24818639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).