1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

C15H24N2O3 — CID 108880655

IUPAC1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)N(C)CCO)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)13-5-7-14(8-6-13)20-12(3)16-15(19)17(4)9-10-18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyXXFUDOSQZCTCBJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.17
Rot. Bonds6

About 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea

1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880655) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880655
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(NC(=O)N(C)CCO)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)13-5-7-14(8-6-13)20-12(3)16-15(19)17(4)9-10-18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyXXFUDOSQZCTCBJ-UHFFFAOYSA-N
XLogP2.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880670
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
3-[1-(4-chlorophenoxy)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108879958
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880655) is 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is CC(NC(=O)N(C)CCO)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is XXFUDOSQZCTCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)13-5-7-14(8-6-13)20-12(3)16-15(19)17(4)9-10-18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).