1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea

C18H21BrN2O2 — CID 112971044

IUPAC1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCCOc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-12-13-23-17-11-7-6-10-16(17)19/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyUOTZTWUEXJSMMV-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.06
Rot. Bonds7

About 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea

1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea (PubChem CID 112971044) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
PubChem CID112971044
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NCCOc1ccccc1Br
InChIInChI=1S/C18H21BrN2O2/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-12-13-23-17-11-7-6-10-16(17)19/h3-11H,2,12-14H2,1H3,(H,20,22)
InChIKeyUOTZTWUEXJSMMV-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
1-benzyl-1-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975009
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
CID 108905100
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
CID 55760971

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea?
The IUPAC name of 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea (CID 112971044) is 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea?
The canonical SMILES for 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea is CCN(Cc1ccccc1)C(=O)NCCOc1ccccc1Br.
What is the InChIKey of 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea?
The InChIKey is UOTZTWUEXJSMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-2-21(14-15-8-4-3-5-9-15)18(22)20-12-13-23-17-11-7-6-10-16(17)19/h3-11H,2,12-14H2,1H3,(H,20,22).
What are the key properties of 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea?
1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea has a molecular weight of 377.28 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea is sourced from PubChem (CID 112971044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).