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

C12H16N2O3 — CID 110311307

IUPAC1-cyclopropyl-3-(2-phenoxyethoxy)urea
SMILESO=C(NOCCOc1ccccc1)NC1CC1
InChIInChI=1S/C12H16N2O3/c15-12(13-10-6-7-10)14-17-9-8-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,13,14,15)
InChIKeyWTJQCTFODBQBOX-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.46
Rot. Bonds6

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

1-cyclopropyl-3-(2-phenoxyethoxy)urea (PubChem CID 110311307) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-phenoxyethoxy)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-phenoxyethoxy)urea
PubChem CID110311307
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-cyclopropyl-3-(2-phenoxyethoxy)urea
SMILESO=C(NOCCOc1ccccc1)NC1CC1
InChIInChI=1S/C12H16N2O3/c15-12(13-10-6-7-10)14-17-9-8-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,13,14,15)
InChIKeyWTJQCTFODBQBOX-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.46
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

N-(2-phenoxyethoxy)cyclopropanecarboxamide
CID 110294647
1-benzyl-3-(2-phenoxyethoxy)urea
CID 110354986
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
2-(2-phenoxyethoxyamino)prop-2-enoic acid
CID 56625837
N-(2-phenoxyethoxy)-2-phenylacetamide
CID 110294668
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205
1-cyclopropyl-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 75532438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-phenoxyethoxy)urea?
The IUPAC name of 1-cyclopropyl-3-(2-phenoxyethoxy)urea (CID 110311307) is 1-cyclopropyl-3-(2-phenoxyethoxy)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-phenoxyethoxy)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-phenoxyethoxy)urea is O=C(NOCCOc1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-phenoxyethoxy)urea?
The InChIKey is WTJQCTFODBQBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(13-10-6-7-10)14-17-9-8-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(2-phenoxyethoxy)urea?
1-cyclopropyl-3-(2-phenoxyethoxy)urea has a molecular weight of 236.27 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-phenoxyethoxy)urea is sourced from PubChem (CID 110311307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).