1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea

C23H22N2O2 — CID 113215342

IUPAC1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
SMILESCc1ccc(C2(NC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-11-13-18(14-12-17)23(15-16-23)25-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,24,25,26)
InChIKeyUOSBMARJVQSSMC-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.60
Rot. Bonds5

About 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea

1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea (PubChem CID 113215342) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
PubChem CID113215342
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
SMILESCc1ccc(C2(NC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C23H22N2O2/c1-17-11-13-18(14-12-17)23(15-16-23)25-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,24,25,26)
InChIKeyUOSBMARJVQSSMC-UHFFFAOYSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215331
1-(2,3-dimethylphenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215273
1-(4-phenoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215141
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 86899757
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-[1-(4-methylphenyl)cyclopropyl]-3-(4-phenylmethoxyphenyl)urea
CID 113215329
2-methoxy-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 75835937
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea (CID 113215342) is 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea is Cc1ccc(C2(NC(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is UOSBMARJVQSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-11-13-18(14-12-17)23(15-16-23)25-22(26)24-20-9-5-6-10-21(20)27-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,24,25,26).
What are the key properties of 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea?
1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 113215342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).