1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea

C22H22N2O2 — CID 108867012

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-21-13-7-17(8-14-21)15-16-23-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyKUACBUGKUYSHAS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.73
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea

1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea (PubChem CID 108867012) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
PubChem CID108867012
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-21-13-7-17(8-14-21)15-16-23-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,23,24,25)
InChIKeyKUACBUGKUYSHAS-UHFFFAOYSA-N
XLogP4.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
N-[2-(4-methoxyphenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 42158481
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55696660
1-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90497661
N-[2-(4-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea (CID 108867012) is 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea is COc1ccc(CCNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea?
The InChIKey is KUACBUGKUYSHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-21-13-7-17(8-14-21)15-16-23-22(25)24-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H2,23,24,25).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea?
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea has a molecular weight of 346.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea is sourced from PubChem (CID 108867012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).