3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea

C17H28N2O3 — CID 60545386

IUPAC3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)14-6-8-15(9-7-14)22-12-10-18-16(20)19(4)11-13-21-5/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyNYJWABSBNYNVMT-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.65
Rot. Bonds7

About 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea

3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea (PubChem CID 60545386) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
PubChem CID60545386
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)NCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,3)14-6-8-15(9-7-14)22-12-10-18-16(20)19(4)11-13-21-5/h6-9H,10-13H2,1-5H3,(H,18,20)
InChIKeyNYJWABSBNYNVMT-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-tert-butylphenoxy)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 112972848
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108882833
1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-pentylurea
CID 86921178
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
1,1-bis(2-methoxyethyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881396
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
N-[2-(4-tert-butylphenoxy)ethyl]-2-methyl-2-methylsulfonylpropanamide
CID 56789229
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea (CID 60545386) is 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea is COCCN(C)C(=O)NCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea?
The InChIKey is NYJWABSBNYNVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,3)14-6-8-15(9-7-14)22-12-10-18-16(20)19(4)11-13-21-5/h6-9H,10-13H2,1-5H3,(H,18,20).
What are the key properties of 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea?
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea has a molecular weight of 308.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 60545386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).