1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea

C13H20N2O3 — CID 108870958

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-9(2)8-14-13(17)15-10(3)18-12-6-4-11(16)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15,17)
InChIKeyLAYRGNHPXRIFCU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.07
Rot. Bonds5

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea (PubChem CID 108870958) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
PubChem CID108870958
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-9(2)8-14-13(17)15-10(3)18-12-6-4-11(16)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15,17)
InChIKeyLAYRGNHPXRIFCU-UHFFFAOYSA-N
XLogP2.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.07
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-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
(2S)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 61188123
(2R)-3-(4-hydroxyphenyl)-2-(2-methylpropylcarbamoylamino)propanoic acid
CID 104905883
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea (CID 108870958) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NC(C)Oc1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea?
The InChIKey is LAYRGNHPXRIFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)8-14-13(17)15-10(3)18-12-6-4-11(16)5-7-12/h4-7,9-10,16H,8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea has a molecular weight of 252.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 108870958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).