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

C19H24N2O — CID 3855520

IUPAC1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCc1ccc(CCNC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-16-8-10-17(11-9-16)12-13-20-19(22)21-14-18-6-4-15(2)5-7-18/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyMXWIXLNBFDTDNV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.60
Rot. Bonds6

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

1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 3855520) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID3855520
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCc1ccc(CCNC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O/c1-3-16-8-10-17(11-9-16)12-13-20-19(22)21-14-18-6-4-15(2)5-7-18/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyMXWIXLNBFDTDNV-UHFFFAOYSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
3-[(4-methylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 47322497
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
1-[(2-chlorophenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891006
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea (CID 3855520) is 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea is CCc1ccc(CCNC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is MXWIXLNBFDTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-16-8-10-17(11-9-16)12-13-20-19(22)21-14-18-6-4-15(2)5-7-18/h4-11H,3,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea?
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 296.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 3855520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).