1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea

C20H26N2O3 — CID 112971443

IUPAC1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26N2O3/c1-20(2,3)15-9-5-6-10-16(15)22-19(23)21-13-14-25-18-12-8-7-11-17(18)24-4/h5-12H,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyZLGSPCVIXWPOJF-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.19
Rot. Bonds6

About 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea

1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (PubChem CID 112971443) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
PubChem CID112971443
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C20H26N2O3/c1-20(2,3)15-9-5-6-10-16(15)22-19(23)21-13-14-25-18-12-8-7-11-17(18)24-4/h5-12H,13-14H2,1-4H3,(H2,21,22,23)
InChIKeyZLGSPCVIXWPOJF-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
3-(2-methoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17034567
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
2-(2-tert-butylphenoxy)ethylcarbamic acid
CID 118869764

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea (CID 112971443) is 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is COc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
The InChIKey is ZLGSPCVIXWPOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)15-9-5-6-10-16(15)22-19(23)21-13-14-25-18-12-8-7-11-17(18)24-4/h5-12H,13-14H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea?
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112971443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).