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

C22H22N2O2 — CID 108899665

IUPAC1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
SMILESCc1ccccc1CCNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-7-5-6-8-18(17)15-16-23-22(25)24-19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyBCDSRMNBNQQVLF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.15
Rot. Bonds6

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

1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea (PubChem CID 108899665) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
PubChem CID108899665
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
SMILESCc1ccccc1CCNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H22N2O2/c1-17-7-5-6-8-18(17)15-16-23-22(25)24-19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyBCDSRMNBNQQVLF-UHFFFAOYSA-N
XLogP5.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108900492
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
[4-[2-(2-methylphenyl)ethylcarbamoylamino]phenyl] thiocyanate
CID 108899741
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
3-(4-methylphenyl)-1-[2-[(4-methylphenyl)carbamoylamino]ethyl]-1-(4-phenoxyphenyl)urea
CID 4210938
N-[(2-methylphenyl)methyl]-2-(4-phenoxyanilino)acetamide
CID 108996702
1-[4-(methoxymethoxy)phenyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 126831662
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea (CID 108899665) is 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea is Cc1ccccc1CCNC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is BCDSRMNBNQQVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-7-5-6-8-18(17)15-16-23-22(25)24-19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h2-14H,15-16H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea?
1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 346.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 108899665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).