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

C18H22N2O2 — CID 108900948

IUPAC1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-20(16-9-5-4-6-10-16)18(21)19-13-12-15-8-7-11-17(14-15)22-2/h4-11,14H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyASSNFXZQAABPDU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.47
Rot. Bonds6

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

1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea (PubChem CID 108900948) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
PubChem CID108900948
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
SMILESCCN(C(=O)NCCc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-20(16-9-5-4-6-10-16)18(21)19-13-12-15-8-7-11-17(14-15)22-2/h4-11,14H,3,12-13H2,1-2H3,(H,19,21)
InChIKeyASSNFXZQAABPDU-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

Analyze 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
3-[2-(3-bromophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901655
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
N'-benzyl-N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 108985483
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172872
1-ethyl-1-phenyl-3-(3-phenylpropyl)urea
CID 108990490
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea?
The IUPAC name of 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea (CID 108900948) is 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea.
What is the SMILES notation for 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea?
The canonical SMILES for 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea is CCN(C(=O)NCCc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea?
The InChIKey is ASSNFXZQAABPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-20(16-9-5-4-6-10-16)18(21)19-13-12-15-8-7-11-17(14-15)22-2/h4-11,14H,3,12-13H2,1-2H3,(H,19,21).
What are the key properties of 1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea?
1-ethyl-3-[2-(3-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-(3-methoxyphenyl)ethyl]-1-phenylurea is sourced from PubChem (CID 108900948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).