3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea

C18H23N3O2 — CID 121085266

IUPAC3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOCCN(Cc1ccncc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23N3O2/c1-14-10-15(2)12-17(11-14)20-18(22)21(8-9-23-3)13-16-4-6-19-7-5-16/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22)
InChIKeyBXOBFXPNSDGVKU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.38
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea

3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea (PubChem CID 121085266) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
PubChem CID121085266
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
SMILESCOCCN(Cc1ccncc1)C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H23N3O2/c1-14-10-15(2)12-17(11-14)20-18(22)21(8-9-23-3)13-16-4-6-19-7-5-16/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22)
InChIKeyBXOBFXPNSDGVKU-UHFFFAOYSA-N
XLogP3.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582837
3-(4-butoxyphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085289
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-(2-methoxyethyl)-3-methyl-4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 121085114
N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 77090268
2-[[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 4263175
3-(2-chloro-4,6-dimethylphenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 74246739
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea (CID 121085266) is 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea is COCCN(Cc1ccncc1)C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
The InChIKey is BXOBFXPNSDGVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-10-15(2)12-17(11-14)20-18(22)21(8-9-23-3)13-16-4-6-19-7-5-16/h4-7,10-12H,8-9,13H2,1-3H3,(H,20,22).
What are the key properties of 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea?
3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea has a molecular weight of 313.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 121085266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).