1-(2-ethoxypropyl)-3-(4-methylphenyl)urea

C13H20N2O2 — CID 121261528

IUPAC1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
SMILESCCOC(C)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-11(3)9-14-13(16)15-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyXPAFHQJNVCOTBH-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds5

About 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea

1-(2-ethoxypropyl)-3-(4-methylphenyl)urea (PubChem CID 121261528) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
PubChem CID121261528
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
SMILESCCOC(C)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-4-17-11(3)9-14-13(16)15-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15,16)
InChIKeyXPAFHQJNVCOTBH-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-acetylphenyl)-3-(2-ethoxypropyl)urea
CID 115662968
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
CID 106286600
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
methyl N-(2-ethoxypropyl)carbamate
CID 115649304
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
ethyl 2-(2-ethoxypropylcarbamoylamino)acetate
CID 115664872
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-(4-hydroxyphenyl)-3-(2-methylpropyl)urea
CID 22947333
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea (CID 121261528) is 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea is CCOC(C)CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea?
The InChIKey is XPAFHQJNVCOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-17-11(3)9-14-13(16)15-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea?
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea has a molecular weight of 236.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 121261528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).