1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea

C24H26N2O3 — CID 55589771

IUPAC1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-28-22-14-8-9-15-23(22)29-17-16-25-24(27)26-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2-15,21H,16-18H2,1H3,(H2,25,26,27)
InChIKeyZNHMJVWLOQRGGA-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.36
Rot. Bonds9

About 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea

1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (PubChem CID 55589771) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
PubChem CID55589771
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O3/c1-28-22-14-8-9-15-23(22)29-17-16-25-24(27)26-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2-15,21H,16-18H2,1H3,(H2,25,26,27)
InChIKeyZNHMJVWLOQRGGA-UHFFFAOYSA-N
XLogP4.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55750339
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
CID 59012208

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (CID 55589771) is 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is COc1ccccc1OCCNC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The InChIKey is ZNHMJVWLOQRGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-22-14-8-9-15-23(22)29-17-16-25-24(27)26-21(20-12-6-3-7-13-20)18-19-10-4-2-5-11-19/h2-15,21H,16-18H2,1H3,(H2,25,26,27).
What are the key properties of 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea has a molecular weight of 390.48 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 55589771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).