1-[(2-ethoxyphenyl)methyl]-3-ethylurea

C12H18N2O2 — CID 23736588

IUPAC1-[(2-ethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccccc1OCC
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-7-5-6-8-11(10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyPGYNDNIZSQLONQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2-ethoxyphenyl)methyl]-3-ethylurea

1-[(2-ethoxyphenyl)methyl]-3-ethylurea (PubChem CID 23736588) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-ethylurea
PubChem CID23736588
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccccc1OCC
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-7-5-6-8-11(10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyPGYNDNIZSQLONQ-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-ethylurea (CID 23736588) is 1-[(2-ethoxyphenyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-ethylurea is CCNC(=O)NCc1ccccc1OCC.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-ethylurea?
The InChIKey is PGYNDNIZSQLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-7-5-6-8-11(10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-ethylurea?
1-[(2-ethoxyphenyl)methyl]-3-ethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-ethylurea is sourced from PubChem (CID 23736588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).