1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea

C19H23N3O4 — CID 9459709

IUPAC1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea
SMILESCCOc1ccc(NC(=O)Nc2cc(C(=O)COC)c(C)nc2C)cc1
InChIInChI=1S/C19H23N3O4/c1-5-26-15-8-6-14(7-9-15)21-19(24)22-17-10-16(18(23)11-25-4)12(2)20-13(17)3/h6-10H,5,11H2,1-4H3,(H2,21,22,24)
InChIKeyVXKZXRQZJHPDCS-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea

1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea (PubChem CID 9459709) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea
PubChem CID9459709
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea
SMILESCCOc1ccc(NC(=O)Nc2cc(C(=O)COC)c(C)nc2C)cc1
InChIInChI=1S/C19H23N3O4/c1-5-26-15-8-6-14(7-9-15)21-19(24)22-17-10-16(18(23)11-25-4)12(2)20-13(17)3/h6-10H,5,11H2,1-4H3,(H2,21,22,24)
InChIKeyVXKZXRQZJHPDCS-UHFFFAOYSA-N
XLogP3.57
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-methoxy-4,6-dimethylpyrimidin-5-yl)urea
CID 122302645
methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
1-(4-bromophenyl)-3-[5-[(4-bromophenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]urea
CID 4860693
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
1-(4-ethoxyphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081028
1-(4-ethoxyphenyl)-3-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122310797
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea (CID 9459709) is 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea is CCOc1ccc(NC(=O)Nc2cc(C(=O)COC)c(C)nc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea?
The InChIKey is VXKZXRQZJHPDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-5-26-15-8-6-14(7-9-15)21-19(24)22-17-10-16(18(23)11-25-4)12(2)20-13(17)3/h6-10H,5,11H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea?
1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea has a molecular weight of 357.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[5-(2-methoxyacetyl)-2,6-dimethyl-3-pyridinyl]urea is sourced from PubChem (CID 9459709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).