3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea

C17H21N3O2 — CID 52906852

IUPAC3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOCCN(Cc1ccncc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-22-12-11-20(14-16-7-9-18-10-8-16)17(21)19-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,21)
InChIKeyRXGDRDLDVKWVEE-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.44
Rot. Bonds7

About 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea

3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 52906852) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID52906852
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOCCN(Cc1ccncc1)C(=O)NCc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-22-12-11-20(14-16-7-9-18-10-8-16)17(21)19-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,21)
InChIKeyRXGDRDLDVKWVEE-UHFFFAOYSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
N-benzyl-4-[(carbamoylamino)methyl]-N-(2-methoxyethyl)benzamide
CID 17419919
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085266
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
1-benzyl-3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)thiourea
CID 3294970
1-benzyl-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 86931400
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3290612
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
3-[(4-fluorophenyl)methyl]-1,1-bis(2-methoxyethyl)urea
CID 44756384
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
6-N-benzyl-6-N-ethyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098074

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea (CID 52906852) is 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea is COCCN(Cc1ccncc1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is RXGDRDLDVKWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-12-11-20(14-16-7-9-18-10-8-16)17(21)19-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,19,21).
What are the key properties of 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 299.37 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 52906852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).