3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea

C17H20N2O2 — CID 108991523

IUPAC3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
SMILESCCOc1ccccc1NC(=O)N(CC)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-19(14-10-6-5-7-11-14)17(20)18-15-12-8-9-13-16(15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,20)
InChIKeySIIZMTWVVMYSHV-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.14
Rot. Bonds5

About 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea

3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea (PubChem CID 108991523) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
PubChem CID108991523
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
SMILESCCOc1ccccc1NC(=O)N(CC)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-3-19(14-10-6-5-7-11-14)17(20)18-15-12-8-9-13-16(15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,20)
InChIKeySIIZMTWVVMYSHV-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
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3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
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(E)-2,3-dichloro-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
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N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(5-tert-butyl-2-ethoxyphenyl)-N'-ethyl-N'-phenyloxamide
CID 22165806
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
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CID 109315810

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea (CID 108991523) is 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea is CCOc1ccccc1NC(=O)N(CC)c1ccccc1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea?
The InChIKey is SIIZMTWVVMYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(14-10-6-5-7-11-14)17(20)18-15-12-8-9-13-16(15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea?
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108991523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).