1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea

C17H28N2O3 — CID 111475205

IUPAC1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O3/c1-5-6-9-19(10-11-20)17(21)18-15-7-8-16(14(4)12-15)22-13(2)3/h7-8,12-13,20H,5-6,9-11H2,1-4H3,(H,18,21)
InChIKeyKZNINBIAHKOORA-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.41
Rot. Bonds8

About 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea

1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea (PubChem CID 111475205) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
PubChem CID111475205
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O3/c1-5-6-9-19(10-11-20)17(21)18-15-7-8-16(14(4)12-15)22-13(2)3/h7-8,12-13,20H,5-6,9-11H2,1-4H3,(H,18,21)
InChIKeyKZNINBIAHKOORA-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(3-fluoro-4-methylsulfanylphenyl)-1-(2-hydroxyethyl)urea
CID 111475389
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
3-(3-bromo-4-methylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111925952
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]urea
CID 97333879
1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 60577685
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
4-(methylamino)-N-(3-methyl-4-propan-2-yloxyphenyl)butanamide
CID 119802582
1-butyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1-(2-hydroxyethyl)urea
CID 110896952
1-(2-hydroxyethyl)-3-phenyl-1-undecylurea
CID 70451899
1,1-dibutyl-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61348218

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea (CID 111475205) is 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea is CCCCN(CCO)C(=O)Nc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
The InChIKey is KZNINBIAHKOORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-6-9-19(10-11-20)17(21)18-15-7-8-16(14(4)12-15)22-13(2)3/h7-8,12-13,20H,5-6,9-11H2,1-4H3,(H,18,21).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea?
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea has a molecular weight of 308.42 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 111475205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).