[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea

C14H22N2O2 — CID 115168787

IUPAC[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
SMILESCCOc1ccc(C(C)(C)CNC(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-18-12-7-6-11(8-10(12)2)14(3,4)9-16-13(15)17/h6-8H,5,9H2,1-4H3,(H3,15,16,17)
InChIKeyFJEVEJIDBGPAKB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds5

About [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea

[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea (PubChem CID 115168787) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
PubChem CID115168787
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
SMILESCCOc1ccc(C(C)(C)CNC(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-18-12-7-6-11(8-10(12)2)14(3,4)9-16-13(15)17/h6-8H,5,9H2,1-4H3,(H3,15,16,17)
InChIKeyFJEVEJIDBGPAKB-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 115215303
ethyl 2-(4-ethoxy-3-methylanilino)acetate
CID 115257196
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798
[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
CID 115168800
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea?
The IUPAC name of [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea (CID 115168787) is [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea?
The canonical SMILES for [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea is CCOc1ccc(C(C)(C)CNC(N)=O)cc1C.
What is the InChIKey of [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea?
The InChIKey is FJEVEJIDBGPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-12-7-6-11(8-10(12)2)14(3,4)9-16-13(15)17/h6-8H,5,9H2,1-4H3,(H3,15,16,17).
What are the key properties of [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea?
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 115168787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).