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

C16H19N3O3 — CID 108890731

IUPAC1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCOc1ccc(OCNC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-21-14-6-8-15(9-7-14)22-12-19-16(20)18-11-13-5-3-4-10-17-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeyCRUHKXLJPVLBHZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.32
Rot. Bonds7

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

1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 108890731) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID108890731
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCOc1ccc(OCNC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-21-14-6-8-15(9-7-14)22-12-19-16(20)18-11-13-5-3-4-10-17-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeyCRUHKXLJPVLBHZ-UHFFFAOYSA-N
XLogP2.32
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
1-[(2,4-dimethylphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108870672
6-N-(4-ethoxyphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098190
2-[(4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 3163372
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
2-(4-propoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 35750358
acetic acid;2,5-diethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 91231286
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
N-(4-ethoxyphenyl)-2-pyridin-2-ylacetamide
CID 110696990
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea (CID 108890731) is 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea is CCOc1ccc(OCNC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is CRUHKXLJPVLBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-21-14-6-8-15(9-7-14)22-12-19-16(20)18-11-13-5-3-4-10-17-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea?
1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 301.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenoxy)methyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 108890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).