1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea

C16H19N3O2 — CID 108870672

IUPAC1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1ccc(OCNC(=O)NCc2ccccn2)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-12-6-7-15(13(2)9-12)21-11-19-16(20)18-10-14-5-3-4-8-17-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyVRSOSJGBUMVOGX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.53
Rot. Bonds5

About 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea

1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108870672) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108870672
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCc1ccc(OCNC(=O)NCc2ccccn2)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-12-6-7-15(13(2)9-12)21-11-19-16(20)18-10-14-5-3-4-8-17-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20)
InChIKeyVRSOSJGBUMVOGX-UHFFFAOYSA-N
XLogP2.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(pyridin-2-ylmethyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974576
2-[(2,4-dimethylphenoxy)methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003308
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
2-(2,4-dimethylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 39358243
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108890731
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
1-[3-(dimethylamino)propyl]-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870723
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea (CID 108870672) is 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea is Cc1ccc(OCNC(=O)NCc2ccccn2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is VRSOSJGBUMVOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-7-15(13(2)9-12)21-11-19-16(20)18-10-14-5-3-4-8-17-14/h3-9H,10-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108870672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).