1-benzyl-3-(2-methoxyethoxy)urea

C11H16N2O3 — CID 110642709

IUPAC1-benzyl-3-(2-methoxyethoxy)urea
SMILESCOCCONC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-15-7-8-16-13-11(14)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,12,13,14)
InChIKeyCBYFVFJFPZDABI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.06
Rot. Bonds6

About 1-benzyl-3-(2-methoxyethoxy)urea

1-benzyl-3-(2-methoxyethoxy)urea (PubChem CID 110642709) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyethoxy)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyethoxy)urea
PubChem CID110642709
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-benzyl-3-(2-methoxyethoxy)urea
SMILESCOCCONC(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O3/c1-15-7-8-16-13-11(14)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,12,13,14)
InChIKeyCBYFVFJFPZDABI-UHFFFAOYSA-N
XLogP1.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
1-benzyl-3-methylurea;ethane
CID 90763782
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
benzene;ethyl N-benzylcarbamate
CID 67715166
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
2-amino-N-benzyl-5-methoxypentanamide
CID 81081027
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyethoxy)urea?
The IUPAC name of 1-benzyl-3-(2-methoxyethoxy)urea (CID 110642709) is 1-benzyl-3-(2-methoxyethoxy)urea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyethoxy)urea?
The canonical SMILES for 1-benzyl-3-(2-methoxyethoxy)urea is COCCONC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-methoxyethoxy)urea?
The InChIKey is CBYFVFJFPZDABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-7-8-16-13-11(14)12-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,12,13,14).
What are the key properties of 1-benzyl-3-(2-methoxyethoxy)urea?
1-benzyl-3-(2-methoxyethoxy)urea has a molecular weight of 224.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyethoxy)urea is sourced from PubChem (CID 110642709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).