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

C23H22N2O2 — CID 113215142

IUPAC1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O2/c26-22(25-23(15-16-23)19-9-5-2-6-10-19)24-20-11-13-21(14-12-20)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,24,25,26)
InChIKeyIFICVIOTRBAREX-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.08
Rot. Bonds6

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

1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 113215142) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID113215142
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)NC1(c2ccccc2)CC1
InChIInChI=1S/C23H22N2O2/c26-22(25-23(15-16-23)19-9-5-2-6-10-19)24-20-11-13-21(14-12-20)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,24,25,26)
InChIKeyIFICVIOTRBAREX-UHFFFAOYSA-N
XLogP5.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(4-phenylmethoxyphenyl)urea
CID 113214398
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 2525284
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 2318616
1-(4-nitrophenyl)-3-(4-phenylmethoxyphenyl)urea
CID 2956271
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea (CID 113215142) is 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea is O=C(Nc1ccc(OCc2ccccc2)cc1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is IFICVIOTRBAREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(25-23(15-16-23)19-9-5-2-6-10-19)24-20-11-13-21(14-12-20)27-17-18-7-3-1-4-8-18/h1-14H,15-17H2,(H2,24,25,26).
What are the key properties of 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea?
1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 113215142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).