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

C15H24N2O3 — CID 108880606

IUPAC1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(O)CNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-10(2)13-5-7-14(8-6-13)20-12(4)17-15(19)16-9-11(3)18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19)
InChIKeyRIOJISHGAGABFW-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.21
Rot. Bonds6

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

1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108880606) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
PubChem CID108880606
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
SMILESCC(O)CNC(=O)NC(C)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O3/c1-10(2)13-5-7-14(8-6-13)20-12(4)17-15(19)16-9-11(3)18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19)
InChIKeyRIOJISHGAGABFW-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
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-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-[(4-methylphenyl)methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880583
1-(3-methoxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880508
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880780
ethyl N-[2-[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108880818
4-[[1-(4-propan-2-ylphenoxy)ethylcarbamoylamino]methyl]benzoic acid
CID 108880613
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
CID 108870958
1-[1-(4-propan-2-ylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108880547
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
1-(2-hydroxyethyl)-1-methyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880655
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea (CID 108880606) is 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is CC(O)CNC(=O)NC(C)Oc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is RIOJISHGAGABFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)13-5-7-14(8-6-13)20-12(4)17-15(19)16-9-11(3)18/h5-8,10-12,18H,9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea?
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 280.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).