3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea

C12H18N2O3 — CID 117059873

IUPAC3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
SMILESCCOc1cc(NC(=O)N(C)OC)ccc1C
InChIInChI=1S/C12H18N2O3/c1-5-17-11-8-10(7-6-9(11)2)13-12(15)14(3)16-4/h6-8H,5H2,1-4H3,(H,13,15)
InChIKeyKUUWGHKFVMXOQE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.42
Rot. Bonds4

About 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea

3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea (PubChem CID 117059873) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
PubChem CID117059873
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
SMILESCCOc1cc(NC(=O)N(C)OC)ccc1C
InChIInChI=1S/C12H18N2O3/c1-5-17-11-8-10(7-6-9(11)2)13-12(15)14(3)16-4/h6-8H,5H2,1-4H3,(H,13,15)
InChIKeyKUUWGHKFVMXOQE-UHFFFAOYSA-N
XLogP2.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methylphenyl)-1-methylurea
CID 166327912
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918544
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
1-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 144808255
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
1-methoxy-1-methyl-3-[3-[3-(2-methylphenyl)propoxy]phenyl]urea
CID 12953602
3-ethoxy-N,4-dimethylbenzamide
CID 59678322

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea?
The IUPAC name of 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea (CID 117059873) is 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea.
What is the SMILES notation for 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea?
The canonical SMILES for 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea is CCOc1cc(NC(=O)N(C)OC)ccc1C.
What is the InChIKey of 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea?
The InChIKey is KUUWGHKFVMXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-5-17-11-8-10(7-6-9(11)2)13-12(15)14(3)16-4/h6-8H,5H2,1-4H3,(H,13,15).
What are the key properties of 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea?
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea has a molecular weight of 238.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea is sourced from PubChem (CID 117059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).