1-[(4-ethoxyphenyl)methyl]-3-ethylurea

C12H18N2O2 — CID 108884423

IUPAC1-[(4-ethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-5-7-11(8-6-10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyOHJGHOQZIHCREJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.90
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-3-ethylurea

1-[(4-ethoxyphenyl)methyl]-3-ethylurea (PubChem CID 108884423) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-ethylurea
PubChem CID108884423
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1ccc(OCC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-5-7-11(8-6-10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeyOHJGHOQZIHCREJ-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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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(3-bromophenyl)methyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884600
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
CID 108884490

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-ethylurea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-ethylurea (CID 108884423) is 1-[(4-ethoxyphenyl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-ethylurea is CCNC(=O)NCc1ccc(OCC)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-ethylurea?
The InChIKey is OHJGHOQZIHCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-12(15)14-9-10-5-7-11(8-6-10)16-4-2/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-ethylurea?
1-[(4-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-[(4-ethoxyphenyl)methyl]-3-ethylurea is sourced from PubChem (CID 108884423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).