1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea

C17H20N2O2 — CID 108884386

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)12-18-17(20)19-15-6-4-5-13(2)11-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyCHGNMVRXXKCQCO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.72
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea

1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea (PubChem CID 108884386) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
PubChem CID108884386
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
SMILESCCOc1ccc(CNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)12-18-17(20)19-15-6-4-5-13(2)11-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyCHGNMVRXXKCQCO-UHFFFAOYSA-N
XLogP3.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
1-(3-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884299
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea (CID 108884386) is 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea is CCOc1ccc(CNC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is CHGNMVRXXKCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-16-9-7-14(8-10-16)12-18-17(20)19-15-6-4-5-13(2)11-15/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea?
1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 108884386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).