1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea

C14H20N2O3 — CID 115758238

IUPAC1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
SMILESCc1cccc(OCCNC(=O)NC2CCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-11-3-2-4-13(9-11)19-8-6-15-14(17)16-12-5-7-18-10-12/h2-4,9,12H,5-8,10H2,1H3,(H2,15,16,17)
InChIKeyFBLXUTIDVCUHGC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.46
Rot. Bonds5

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

1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea (PubChem CID 115758238) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
PubChem CID115758238
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
SMILESCc1cccc(OCCNC(=O)NC2CCOC2)c1
InChIInChI=1S/C14H20N2O3/c1-11-3-2-4-13(9-11)19-8-6-15-14(17)16-12-5-7-18-10-12/h2-4,9,12H,5-8,10H2,1H3,(H2,15,16,17)
InChIKeyFBLXUTIDVCUHGC-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.46
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
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 71911048
1-[2-(3-fluorophenoxy)ethyl]-3-(6-oxaspiro[4.5]decan-9-yl)urea
CID 71915144
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425
(2R)-N-[2-(3-methylphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95159054
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 38156912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea (CID 115758238) is 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea is Cc1cccc(OCCNC(=O)NC2CCOC2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea?
The InChIKey is FBLXUTIDVCUHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-3-2-4-13(9-11)19-8-6-15-14(17)16-12-5-7-18-10-12/h2-4,9,12H,5-8,10H2,1H3,(H2,15,16,17).
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea?
1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea has a molecular weight of 264.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 115758238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).