1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea

C20H26N2O2 — CID 112971732

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H26N2O2/c1-4-16-9-5-8-12-19(16)24-14-13-21-20(23)22-18-11-7-6-10-17(18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyIAKDVKIRHIILKC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.57
Rot. Bonds7

About 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea

1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 112971732) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID112971732
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
SMILESCCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C20H26N2O2/c1-4-16-9-5-8-12-19(16)24-14-13-21-20(23)22-18-11-7-6-10-17(18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyIAKDVKIRHIILKC-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.57
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-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108883342
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
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-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea (CID 112971732) is 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea is CCc1ccccc1OCCNC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is IAKDVKIRHIILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16-9-5-8-12-19(16)24-14-13-21-20(23)22-18-11-7-6-10-17(18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 326.44 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 112971732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).