1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea

C15H17N3O2 — CID 6470367

IUPAC1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O2/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyFURUMDCMDGJXSV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.80
Rot. Bonds5

About 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea

1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 6470367) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID6470367
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCCOc1ccccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O2/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyFURUMDCMDGJXSV-UHFFFAOYSA-N
XLogP2.80
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea (CID 6470367) is 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea is CCOc1ccccc1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is FURUMDCMDGJXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-14-9-4-3-8-13(14)18-15(19)17-11-12-7-5-6-10-16-12/h3-10H,2,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 6470367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).