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

C18H21N3O2 — CID 24818633

IUPAC1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCCc1ccccc1NC(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-15-10-6-7-11-16(15)19-18(23)21-20-17(22)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyZBPVZYNSBGJDAO-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.03
Rot. Bonds5

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

1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea (PubChem CID 24818633) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea
PubChem CID24818633
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea
SMILESCCc1ccccc1NC(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-2-15-10-6-7-11-16(15)19-18(23)21-20-17(22)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyZBPVZYNSBGJDAO-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.03
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-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea (CID 24818633) is 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea is CCc1ccccc1NC(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea?
The InChIKey is ZBPVZYNSBGJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-15-10-6-7-11-16(15)19-18(23)21-20-17(22)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea?
1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea has a molecular weight of 311.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(3-phenylpropanoylamino)urea is sourced from PubChem (CID 24818633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).