3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

C15H24N2O3 — CID 111754678

IUPAC3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCCOc1cc(C)ccc1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H24N2O3/c1-6-20-13-9-11(2)7-8-12(13)16-14(18)17(5)10-15(3,4)19/h7-9,19H,6,10H2,1-5H3,(H,16,18)
InChIKeyZELPEXMDEGQMFX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.63
Rot. Bonds5

About 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea

3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (PubChem CID 111754678) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.

Molecular Properties

Compound Name3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
PubChem CID111754678
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea
SMILESCCOc1cc(C)ccc1NC(=O)N(C)CC(C)(C)O
InChIInChI=1S/C15H24N2O3/c1-6-20-13-9-11(2)7-8-12(13)16-14(18)17(5)10-15(3,4)19/h7-9,19H,6,10H2,1-5H3,(H,16,18)
InChIKeyZELPEXMDEGQMFX-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
3-(2-ethoxy-4-fluorophenyl)-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790631
2-amino-N-(2-ethoxy-4-methylphenyl)-3,3-dimethylbutanamide
CID 76888007
3-[2-(4-ethoxyphenoxy)-4-methylphenyl]-1-methoxy-1-methylurea
CID 88703244
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 86838076
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
1-(2-hydroxyethyl)-1-methyl-3-(4-methyl-2-phenylmethoxyphenyl)urea
CID 111431455

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The IUPAC name of 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea (CID 111754678) is 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea.
What is the SMILES notation for 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The canonical SMILES for 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is CCOc1cc(C)ccc1NC(=O)N(C)CC(C)(C)O.
What is the InChIKey of 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
The InChIKey is ZELPEXMDEGQMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-6-20-13-9-11(2)7-8-12(13)16-14(18)17(5)10-15(3,4)19/h7-9,19H,6,10H2,1-5H3,(H,16,18).
What are the key properties of 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea?
3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea has a molecular weight of 280.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-methylphenyl)-1-(2-hydroxy-2-methylpropyl)-1-methylurea is sourced from PubChem (CID 111754678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).