1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea

C22H22N2O3 — CID 112969756

IUPAC1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c25-22(23-15-16-26-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,23,24,25)
InChIKeyUMOSZPPJBCDHBV-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.47
Rot. Bonds8

About 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea

1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 112969756) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID112969756
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c25-22(23-15-16-26-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,23,24,25)
InChIKeyUMOSZPPJBCDHBV-UHFFFAOYSA-N
XLogP4.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.47
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-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 152756816
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(4-phenylmethoxyphenyl)urea
CID 2810884
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
1-[2-(2-fluorophenoxy)ethyl]-3-(4-phenoxyphenyl)urea
CID 112970293

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea (CID 112969756) is 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea is O=C(NCCOc1ccccc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is UMOSZPPJBCDHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-22(23-15-16-26-20-9-5-2-6-10-20)24-19-11-13-21(14-12-19)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,23,24,25).
What are the key properties of 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea?
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 362.43 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 112969756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).