1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea

C30H26N2O3 — CID 58506375

IUPAC1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
SMILESO=C(Cc1ccccc1)Cc1ccc(C(=O)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C30H26N2O3/c33-28(19-22-7-3-1-4-8-22)20-23-11-15-25(16-12-23)29(34)21-24-13-17-27(18-14-24)32-30(35)31-26-9-5-2-6-10-26/h1-18H,19-21H2,(H2,31,32,35)
InChIKeyIYEUETFTXVZPBD-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.11
Rot. Bonds9

About 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea

1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea (PubChem CID 58506375) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
PubChem CID58506375
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC Name1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
SMILESO=C(Cc1ccccc1)Cc1ccc(C(=O)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C30H26N2O3/c33-28(19-22-7-3-1-4-8-22)20-23-11-15-25(16-12-23)29(34)21-24-13-17-27(18-14-24)32-30(35)31-26-9-5-2-6-10-26/h1-18H,19-21H2,(H2,31,32,35)
InChIKeyIYEUETFTXVZPBD-UHFFFAOYSA-N
XLogP6.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
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1,3-diphenyl(213C)propan-2-one
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1-(4-ethylphenyl)-2-phenylethanone
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1-[4-(chloromethyl)phenyl]-3-phenylurea
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benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
CID 118062709
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4-phenacylbenzoyl iodide
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1-(4-iodophenyl)-2-phenylethanone
CID 24723884

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea (CID 58506375) is 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea is O=C(Cc1ccccc1)Cc1ccc(C(=O)Cc2ccc(NC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea?
The InChIKey is IYEUETFTXVZPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c33-28(19-22-7-3-1-4-8-22)20-23-11-15-25(16-12-23)29(34)21-24-13-17-27(18-14-24)32-30(35)31-26-9-5-2-6-10-26/h1-18H,19-21H2,(H2,31,32,35).
What are the key properties of 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea?
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea has a molecular weight of 462.55 g/mol, XLogP of 6.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 58506375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).