1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea

C13H20N2O3 — CID 108894571

IUPAC1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
SMILESCOCCOCNC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H20N2O3/c1-11-4-3-5-12(8-11)9-14-13(16)15-10-18-7-6-17-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyRDHFAPXFQMBBOO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.41
Rot. Bonds7

About 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea

1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea (PubChem CID 108894571) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
PubChem CID108894571
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea
SMILESCOCCOCNC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H20N2O3/c1-11-4-3-5-12(8-11)9-14-13(16)15-10-18-7-6-17-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,14,15,16)
InChIKeyRDHFAPXFQMBBOO-UHFFFAOYSA-N
XLogP1.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111899835
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
1-[(3-methylphenyl)methyl]-3-(3-oxobutyl)urea
CID 108895266
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
(3-methylphenyl)methylurea
CID 60776531
1-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methyl]urea
CID 108897773
1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea (CID 108894571) is 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea is COCCOCNC(=O)NCc1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea?
The InChIKey is RDHFAPXFQMBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-11-4-3-5-12(8-11)9-14-13(16)15-10-18-7-6-17-2/h3-5,8H,6-7,9-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea?
1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea has a molecular weight of 252.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-[(3-methylphenyl)methyl]urea is sourced from PubChem (CID 108894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).