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

C14H20N2O3 — CID 112972938

IUPAC1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-2-18-12-4-3-5-13(10-12)19-9-8-15-14(17)16-11-6-7-11/h3-5,10-11H,2,6-9H2,1H3,(H2,15,16,17)
InChIKeyPLMHDUFVYJLHOJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.93
Rot. Bonds7

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

1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112972938) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112972938
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N2O3/c1-2-18-12-4-3-5-13(10-12)19-9-8-15-14(17)16-11-6-7-11/h3-5,10-11H,2,6-9H2,1H3,(H2,15,16,17)
InChIKeyPLMHDUFVYJLHOJ-UHFFFAOYSA-N
XLogP1.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112972938) is 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCOc1cccc(OCCNC(=O)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is PLMHDUFVYJLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-18-12-4-3-5-13(10-12)19-9-8-15-14(17)16-11-6-7-11/h3-5,10-11H,2,6-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea has a molecular weight of 264.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112972938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).