1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea

C20H23N3O3 — CID 60577685

IUPAC1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C20H23N3O3/c1-2-3-12-23(13-14-24)20(25)22-17-8-10-18(11-9-17)26-19-7-5-4-6-16(19)15-21/h4-11,24H,2-3,12-14H2,1H3,(H,22,25)
InChIKeyRIJBJUMZXCCYJY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds8

About 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea

1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea (PubChem CID 60577685) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
PubChem CID60577685
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C20H23N3O3/c1-2-3-12-23(13-14-24)20(25)22-17-8-10-18(11-9-17)26-19-7-5-4-6-16(19)15-21/h4-11,24H,2-3,12-14H2,1H3,(H,22,25)
InChIKeyRIJBJUMZXCCYJY-UHFFFAOYSA-N
XLogP3.98
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 78872335
1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
CID 60577721
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 111475205
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1-(2-hydroxyethyl)-1-propyl-3-[4-(pyridin-2-ylmethoxy)phenyl]urea
CID 118776786
1-butyl-3-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-hydroxyethyl)urea
CID 47434526

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea (CID 60577685) is 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea is CCCCN(CCO)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
The InChIKey is RIJBJUMZXCCYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-3-12-23(13-14-24)20(25)22-17-8-10-18(11-9-17)26-19-7-5-4-6-16(19)15-21/h4-11,24H,2-3,12-14H2,1H3,(H,22,25).
What are the key properties of 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea?
1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea has a molecular weight of 353.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 60577685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).