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

C21H28N2O2 — CID 112971735

IUPAC1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-5-16-10-6-9-13-19(16)25-15-14-22-20(24)23-18-12-8-7-11-17(18)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H2,22,23,24)
InChIKeySVHJZQYOZXRWDR-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.75
Rot. Bonds6

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

1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea (PubChem CID 112971735) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
PubChem CID112971735
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C21H28N2O2/c1-5-16-10-6-9-13-19(16)25-15-14-22-20(24)23-18-12-8-7-11-17(18)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H2,22,23,24)
InChIKeySVHJZQYOZXRWDR-UHFFFAOYSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea (CID 112971735) is 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea is CCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
The InChIKey is SVHJZQYOZXRWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-16-10-6-9-13-19(16)25-15-14-22-20(24)23-18-12-8-7-11-17(18)21(2,3)4/h6-13H,5,14-15H2,1-4H3,(H2,22,23,24).
What are the key properties of 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea?
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112971735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).