1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea

C13H20N2O3 — CID 47326596

IUPAC1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NCCO)c(C)c1
InChIInChI=1S/C13H20N2O3/c1-3-8-18-11-4-5-12(10(2)9-11)15-13(17)14-6-7-16/h4-5,9,16H,3,6-8H2,1-2H3,(H2,14,15,17)
InChIKeyJUHSXGDDVDFDLO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea

1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea (PubChem CID 47326596) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
PubChem CID47326596
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)NCCO)c(C)c1
InChIInChI=1S/C13H20N2O3/c1-3-8-18-11-4-5-12(10(2)9-11)15-13(17)14-6-7-16/h4-5,9,16H,3,6-8H2,1-2H3,(H2,14,15,17)
InChIKeyJUHSXGDDVDFDLO-UHFFFAOYSA-N
XLogP1.90
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
(2R)-2-[(4-butoxy-2-methylphenyl)carbamoylamino]-N-ethylpropanamide
CID 95280435
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea (CID 47326596) is 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)NCCO)c(C)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea?
The InChIKey is JUHSXGDDVDFDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-8-18-11-4-5-12(10(2)9-11)15-13(17)14-6-7-16/h4-5,9,16H,3,6-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea?
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea is sourced from PubChem (CID 47326596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).