1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea

C18H23N3O2 — CID 75449082

IUPAC1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccncc2CC)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-4-14-11-19-9-8-15(14)12-20-18(22)21-17-7-6-16(23-5-2)10-13(17)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21,22)
InChIKeyHIJBILXJHVXWNK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea

1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea (PubChem CID 75449082) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea
PubChem CID75449082
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2ccncc2CC)c(C)c1
InChIInChI=1S/C18H23N3O2/c1-4-14-11-19-9-8-15(14)12-20-18(22)21-17-7-6-16(23-5-2)10-13(17)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21,22)
InChIKeyHIJBILXJHVXWNK-UHFFFAOYSA-N
XLogP3.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
1-[(4-ethoxyphenyl)methyl]-3-(4-iodo-2-methylphenyl)urea
CID 108884390
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335622
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
1-(4-ethoxy-2-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47264843

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea (CID 75449082) is 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea is CCOc1ccc(NC(=O)NCc2ccncc2CC)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea?
The InChIKey is HIJBILXJHVXWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-14-11-19-9-8-15(14)12-20-18(22)21-17-7-6-16(23-5-2)10-13(17)3/h6-11H,4-5,12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea?
1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-3-[(3-ethyl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 75449082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).