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

C19H24N2O2 — CID 108884612

IUPAC1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCOc1ccc(CNC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-10-8-17(9-11-18)14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFKWBSIVSLHVIMD-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.44
Rot. Bonds7

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

1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108884612) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108884612
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCOc1ccc(CNC(=O)NCCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-3-23-18-10-8-17(9-11-18)14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyFKWBSIVSLHVIMD-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-fluorophenyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893063
N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
CID 108884490

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108884612) is 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea is CCOc1ccc(CNC(=O)NCCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is FKWBSIVSLHVIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-18-10-8-17(9-11-18)14-21-19(22)20-13-12-16-6-4-15(2)5-7-16/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.44, 7 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-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108884612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).