1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea

C18H22N2O2 — CID 108901911

IUPAC1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
SMILESCCN(C(=O)NCCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-20(16-7-5-4-6-8-16)18(21)19-14-13-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyCNVDMQOQTSUEFB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.47
Rot. Bonds6

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

1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea (PubChem CID 108901911) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
PubChem CID108901911
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
SMILESCCN(C(=O)NCCc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-20(16-7-5-4-6-8-16)18(21)19-14-13-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyCNVDMQOQTSUEFB-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
5-(N-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192755
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113164876
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea?
The IUPAC name of 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea (CID 108901911) is 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea?
The canonical SMILES for 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea is CCN(C(=O)NCCc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea?
The InChIKey is CNVDMQOQTSUEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-20(16-7-5-4-6-8-16)18(21)19-14-13-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21).
What are the key properties of 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea?
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea has a molecular weight of 298.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea is sourced from PubChem (CID 108901911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).