1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea

C19H23N3O3 — CID 730153

IUPAC1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)14-9-11-16(12-10-14)25-13-17(23)21-22-18(24)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyFDEOCTKRDJEKCI-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.22
Rot. Bonds4

About 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea

1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea (PubChem CID 730153) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea.

Molecular Properties

Compound Name1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea
PubChem CID730153
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-19(2,3)14-9-11-16(12-10-14)25-13-17(23)21-22-18(24)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyFDEOCTKRDJEKCI-UHFFFAOYSA-N
XLogP3.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.22
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-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea?
The IUPAC name of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea (CID 730153) is 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea.
What is the SMILES notation for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea?
The canonical SMILES for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea is CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea?
The InChIKey is FDEOCTKRDJEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)14-9-11-16(12-10-14)25-13-17(23)21-22-18(24)20-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea?
1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea has a molecular weight of 341.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-phenylurea is sourced from PubChem (CID 730153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).