1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C25H28N2O2 — CID 108880670

IUPAC1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)N(Cc1ccccc1)c1ccccc1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C25H28N2O2/c1-19(2)22-14-16-24(17-15-22)29-20(3)26-25(28)27(23-12-8-5-9-13-23)18-21-10-6-4-7-11-21/h4-17,19-20H,18H2,1-3H3,(H,26,28)
InChIKeyFUXNPJIBMBUPFO-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.95
Rot. Bonds7

About 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880670) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880670
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)N(Cc1ccccc1)c1ccccc1)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C25H28N2O2/c1-19(2)22-14-16-24(17-15-22)29-20(3)26-25(28)27(23-12-8-5-9-13-23)18-21-10-6-4-7-11-21/h4-17,19-20H,18H2,1-3H3,(H,26,28)
InChIKeyFUXNPJIBMBUPFO-UHFFFAOYSA-N
XLogP5.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 108879841
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880655
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
1-benzyl-1-methyl-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972527
(2S)-N-benzyl-2-(4-propan-2-ylphenoxy)propanamide
CID 9239248
1-benzyl-3-(phenoxymethyl)-1-phenylurea
CID 108888948
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
3-(N-benzyl-4-propan-2-ylanilino)propanoic acid
CID 82317290
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880670) is 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is CC(NC(=O)N(Cc1ccccc1)c1ccccc1)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is FUXNPJIBMBUPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-19(2)22-14-16-24(17-15-22)29-20(3)26-25(28)27(23-12-8-5-9-13-23)18-21-10-6-4-7-11-21/h4-17,19-20H,18H2,1-3H3,(H,26,28).
What are the key properties of 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 388.51 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).