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

C16H19N3O2 — CID 60569628

IUPAC1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
SMILESCCOc1ccccc1CNC(=O)NCc1ccncc1
InChIInChI=1S/C16H19N3O2/c1-2-21-15-6-4-3-5-14(15)12-19-16(20)18-11-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeyJPHBXCUHAHNHTN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds6

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

1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 60569628) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID60569628
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
SMILESCCOc1ccccc1CNC(=O)NCc1ccncc1
InChIInChI=1S/C16H19N3O2/c1-2-21-15-6-4-3-5-14(15)12-19-16(20)18-11-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeyJPHBXCUHAHNHTN-UHFFFAOYSA-N
XLogP2.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyphenyl)methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 22299839
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337271
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
1-[(2-ethoxyphenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338222
1-[2-(2-fluorophenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112970190
1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-[(2-ethoxyphenyl)methyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389858
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea (CID 60569628) is 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea is CCOc1ccccc1CNC(=O)NCc1ccncc1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is JPHBXCUHAHNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-21-15-6-4-3-5-14(15)12-19-16(20)18-11-13-7-9-17-10-8-13/h3-10H,2,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea?
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 60569628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).