1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea

C13H20N2O3 — CID 56824215

IUPAC1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCCOc1cc(NC(=O)NCCOC)ccc1C
InChIInChI=1S/C13H20N2O3/c1-4-18-12-9-11(6-5-10(12)2)15-13(16)14-7-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,16)
InChIKeyDMYBKZSUSPRHBU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds6

About 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea

1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea (PubChem CID 56824215) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
PubChem CID56824215
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
SMILESCCOc1cc(NC(=O)NCCOC)ccc1C
InChIInChI=1S/C13H20N2O3/c1-4-18-12-9-11(6-5-10(12)2)15-13(16)14-7-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,16)
InChIKeyDMYBKZSUSPRHBU-UHFFFAOYSA-N
XLogP2.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.16
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-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(3,4-diethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8660360
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyethyl)urea
CID 47194731
1-(4-methylphenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974475
1-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110923302
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea (CID 56824215) is 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea is CCOc1cc(NC(=O)NCCOC)ccc1C.
What is the InChIKey of 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is DMYBKZSUSPRHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-12-9-11(6-5-10(12)2)15-13(16)14-7-8-17-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea?
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 252.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 56824215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).