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

C16H18N2O3 — CID 110354986

IUPAC1-benzyl-3-(2-phenoxyethoxy)urea
SMILESO=C(NCc1ccccc1)NOCCOc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-16(17-13-14-7-3-1-4-8-14)18-21-12-11-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyBJOWWZUIROEKCD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.50
Rot. Bonds7

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

1-benzyl-3-(2-phenoxyethoxy)urea (PubChem CID 110354986) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzyl-3-(2-phenoxyethoxy)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-phenoxyethoxy)urea
PubChem CID110354986
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-benzyl-3-(2-phenoxyethoxy)urea
SMILESO=C(NCc1ccccc1)NOCCOc1ccccc1
InChIInChI=1S/C16H18N2O3/c19-16(17-13-14-7-3-1-4-8-14)18-21-12-11-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18,19)
InChIKeyBJOWWZUIROEKCD-UHFFFAOYSA-N
XLogP2.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.50
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-methoxyethoxy)urea
CID 110642709
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
1-cyclopropyl-3-(2-phenoxyethoxy)urea
CID 110311307
2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
N-(2-phenoxyethoxy)cyclopropanecarboxamide
CID 110294647
1-[2-(2-aminoethoxy)ethyl]-3-benzylurea
CID 107654533
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
1-benzyl-3-methylurea;ethane
CID 90763782
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-phenoxyethoxy)urea?
The IUPAC name of 1-benzyl-3-(2-phenoxyethoxy)urea (CID 110354986) is 1-benzyl-3-(2-phenoxyethoxy)urea.
What is the SMILES notation for 1-benzyl-3-(2-phenoxyethoxy)urea?
The canonical SMILES for 1-benzyl-3-(2-phenoxyethoxy)urea is O=C(NCc1ccccc1)NOCCOc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-phenoxyethoxy)urea?
The InChIKey is BJOWWZUIROEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(17-13-14-7-3-1-4-8-14)18-21-12-11-20-15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2-phenoxyethoxy)urea?
1-benzyl-3-(2-phenoxyethoxy)urea has a molecular weight of 286.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-phenoxyethoxy)urea is sourced from PubChem (CID 110354986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).