1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea

C13H18N2O3 — CID 47127459

IUPAC1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC1CC1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-9-8-14-13(16)15-10-6-7-10/h2-5,10H,6-9H2,1H3,(H2,14,15,16)
InChIKeyNWCAVDMWESKOFJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds6

About 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea

1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea (PubChem CID 47127459) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
PubChem CID47127459
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
SMILESCOc1ccccc1OCCNC(=O)NC1CC1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-9-8-14-13(16)15-10-6-7-10/h2-5,10H,6-9H2,1H3,(H2,14,15,16)
InChIKeyNWCAVDMWESKOFJ-UHFFFAOYSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-cyclopropyl-4-[2-(2-methoxyphenoxy)ethylamino]butanamide
CID 79379590
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-benzhydryl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 41328052
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
1-cyclopropyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974243
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea (CID 47127459) is 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea is COc1ccccc1OCCNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea?
The InChIKey is NWCAVDMWESKOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-4-2-3-5-12(11)18-9-8-14-13(16)15-10-6-7-10/h2-5,10H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea?
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea has a molecular weight of 250.30 g/mol, XLogP of 1.54, 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-(2-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 47127459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).