3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

C14H21BrN2O3 — CID 71986327

IUPAC3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-17(5-6-18)14(19)16-12-7-11(15)8-13(9-12)20-10(2)3/h7-10,18H,4-6H2,1-3H3,(H,16,19)
InChIKeyHVRLDTQCWNVFDZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.08
Rot. Bonds6

About 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 71986327) has the molecular formula C14H21BrN2O3 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID71986327
Molecular FormulaC14H21BrN2O3
Molecular Weight345.24 g/mol
Exact Mass344.07
IUPAC Name3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cc(Br)cc(OC(C)C)c1
InChIInChI=1S/C14H21BrN2O3/c1-4-17(5-6-18)14(19)16-12-7-11(15)8-13(9-12)20-10(2)3/h7-10,18H,4-6H2,1-3H3,(H,16,19)
InChIKeyHVRLDTQCWNVFDZ-UHFFFAOYSA-N
XLogP3.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 108869470
N-(3-bromo-5-propan-2-yloxyphenyl)-2-(methylamino)acetamide
CID 119819617
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
N-(3-bromo-5-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 119344106
(2S)-2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119344109
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 75451514
1-butyl-1-(2-hydroxyethyl)-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 111475205
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
N-(3-bromo-5-propan-2-yloxyphenyl)morpholine-2-carboxamide
CID 119819637
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
CID 120796352
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-phenylpropanamide;hydrochloride
CID 120594284

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 71986327) is 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1cc(Br)cc(OC(C)C)c1.
What is the InChIKey of 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is HVRLDTQCWNVFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3/c1-4-17(5-6-18)14(19)16-12-7-11(15)8-13(9-12)20-10(2)3/h7-10,18H,4-6H2,1-3H3,(H,16,19).
What are the key properties of 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 345.24 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-propan-2-yloxyphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 71986327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).