1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea

C13H20N2O2 — CID 47417327

IUPAC1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
SMILESCCOc1ccc(NC(=O)NC(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-5-17-12-7-6-11(8-10(12)4)15-13(16)14-9(2)3/h6-9H,5H2,1-4H3,(H2,14,15,16)
InChIKeyZYIJMADRUNQMNN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea

1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea (PubChem CID 47417327) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
PubChem CID47417327
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
SMILESCCOc1ccc(NC(=O)NC(C)C)cc1C
InChIInChI=1S/C13H20N2O2/c1-5-17-12-7-6-11(8-10(12)4)15-13(16)14-9(2)3/h6-9H,5H2,1-4H3,(H2,14,15,16)
InChIKeyZYIJMADRUNQMNN-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-3-fluorophenyl)-3-propan-2-ylurea
CID 47307419
1-(3-methyl-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774552
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703
1-(4-ethoxy-3-methylphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120649
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
4-(4-ethoxy-3-methylanilino)-3-methylbutanoic acid
CID 115219712
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea (CID 47417327) is 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea is CCOc1ccc(NC(=O)NC(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea?
The InChIKey is ZYIJMADRUNQMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-17-12-7-6-11(8-10(12)4)15-13(16)14-9(2)3/h6-9H,5H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea?
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea has a molecular weight of 236.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 47417327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).