1-ethyl-3-[3-(2-methylphenoxy)propyl]urea

C13H20N2O2 — CID 108883834

IUPAC1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCNC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-3-14-13(16)15-9-6-10-17-12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyFAFPWXKHKRYWIK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds6

About 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea

1-ethyl-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883834) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883834
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCNC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-3-14-13(16)15-9-6-10-17-12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyFAFPWXKHKRYWIK-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
1-[2-(2,3-dimethylphenoxy)ethyl]-3-pentylurea
CID 112973846
1-[2-(3-methoxyphenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884018
1-[2-(3-chlorophenyl)ethyl]-3-[3-(2-methylphenoxy)propyl]urea
CID 108884020
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea (CID 108883834) is 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea is CCNC(=O)NCCCOc1ccccc1C.
What is the InChIKey of 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is FAFPWXKHKRYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-14-13(16)15-9-6-10-17-12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea?
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 236.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).