1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea

C12H18N2O3 — CID 56801236

IUPAC1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea
SMILESCOCCN(C)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(8-9-16-2)12(15)13-17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKeyAKYKGEQGFATPDA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.41
Rot. Bonds6

About 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea

1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea (PubChem CID 56801236) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea
PubChem CID56801236
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea
SMILESCOCCN(C)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-14(8-9-16-2)12(15)13-17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15)
InChIKeyAKYKGEQGFATPDA-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea (CID 56801236) is 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea is COCCN(C)C(=O)NOCc1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea?
The InChIKey is AKYKGEQGFATPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(8-9-16-2)12(15)13-17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,13,15).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea?
1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea has a molecular weight of 238.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-phenylmethoxyurea is sourced from PubChem (CID 56801236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).