1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea

C18H23N3O2 — CID 108898368

IUPAC1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(22)20-14-16-5-4-6-17(13-16)23-2/h4-8,10-11,13H,3,9,12,14H2,1-2H3,(H,20,22)
InChIKeyZPEWPPWCSGLKBR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.86
Rot. Bonds7

About 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea

1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea (PubChem CID 108898368) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
PubChem CID108898368
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea
SMILESCCN(CCc1ccncc1)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C18H23N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(22)20-14-16-5-4-6-17(13-16)23-2/h4-8,10-11,13H,3,9,12,14H2,1-2H3,(H,20,22)
InChIKeyZPEWPPWCSGLKBR-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
3-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993687

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea (CID 108898368) is 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea is CCN(CCc1ccncc1)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea?
The InChIKey is ZPEWPPWCSGLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-21(12-9-15-7-10-19-11-8-15)18(22)20-14-16-5-4-6-17(13-16)23-2/h4-8,10-11,13H,3,9,12,14H2,1-2H3,(H,20,22).
What are the key properties of 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea?
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methoxyphenyl)methyl]-1-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 108898368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).