1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea

C18H22N2O2 — CID 108887045

IUPAC1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
SMILESCCN(Cc1ccccc1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-20(15-16-9-5-3-6-10-16)18(21)19-13-14-22-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,19,21)
InChIKeyBRVDBTGQSCROQX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.30
Rot. Bonds7

About 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea

1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea (PubChem CID 108887045) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
PubChem CID108887045
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
SMILESCCN(Cc1ccccc1)C(=O)NCCOc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-20(15-16-9-5-3-6-10-16)18(21)19-13-14-22-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,19,21)
InChIKeyBRVDBTGQSCROQX-UHFFFAOYSA-N
XLogP3.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.30
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-3-[2-(2-bromophenoxy)ethyl]-1-ethylurea
CID 112971044
N-benzyl-N-ethyl-2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111004820
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980
1-benzyl-1-ethyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112975009
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
1-benzyl-1-ethyl-3-[2-(4-methylphenyl)ethyl]urea
CID 108891107
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
6-[[benzyl(ethyl)carbamoyl]amino]hexanoic acid
CID 61185010
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628
1,1-bis(2-methylpropyl)-3-(3-phenoxypropyl)urea
CID 108883218

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea (CID 108887045) is 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea is CCN(Cc1ccccc1)C(=O)NCCOc1ccccc1.
What is the InChIKey of 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea?
The InChIKey is BRVDBTGQSCROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-20(15-16-9-5-3-6-10-16)18(21)19-13-14-22-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea?
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 108887045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).