1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea

C23H24N2O3 — CID 41328052

IUPAC1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-27-20-14-8-9-15-21(20)28-17-16-24-23(26)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H2,24,25,26)
InChIKeyLJKSYWKCRHCBIE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.16
Rot. Bonds8

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

1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea (PubChem CID 41328052) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
PubChem CID41328052
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-27-20-14-8-9-15-21(20)28-17-16-24-23(26)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H2,24,25,26)
InChIKeyLJKSYWKCRHCBIE-UHFFFAOYSA-N
XLogP4.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.16
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-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55589771
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55750339
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyethyl)urea
CID 108886994
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea (CID 41328052) is 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea is COc1ccccc1OCCNC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The InChIKey is LJKSYWKCRHCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-20-14-8-9-15-21(20)28-17-16-24-23(26)25-22(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,22H,16-17H2,1H3,(H2,24,25,26).
What are the key properties of 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea?
1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea has a molecular weight of 376.46 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 41328052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).