1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea

C22H20N2O2 — CID 113215141

IUPAC1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O2/c25-21(24-22(15-16-22)17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,23,24,25)
InChIKeyGENCBTCRIXVXSG-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.29
Rot. Bonds5

About 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea

1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea (PubChem CID 113215141) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
PubChem CID113215141
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C22H20N2O2/c25-21(24-22(15-16-22)17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,23,24,25)
InChIKeyGENCBTCRIXVXSG-UHFFFAOYSA-N
XLogP5.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469255
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
CID 113215142
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
1-[1-(3-aminophenyl)cyclopropyl]-3-phenylurea
CID 110491033
1-(4-acetylphenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215697
1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
CID 113215342
1-[1-(2-cyanopyrimidin-4-yl)cyclopentyl]-3-(4-phenoxyphenyl)urea
CID 150515744
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea (CID 113215141) is 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea is O=C(Nc1ccc(Oc2ccccc2)cc1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is GENCBTCRIXVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(24-22(15-16-22)17-7-3-1-4-8-17)23-18-11-13-20(14-12-18)26-19-9-5-2-6-10-19/h1-14H,15-16H2,(H2,23,24,25).
What are the key properties of 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea?
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 344.41 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 113215141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).