2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide

C18H22N4O3 — CID 53175067

IUPAC2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCNC(=O)Nc1ccc(OCC(=O)NCc2cccc(C)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-3-19-18(24)22-15-7-8-17(21-11-15)25-12-16(23)20-10-14-6-4-5-13(2)9-14/h4-9,11H,3,10,12H2,1-2H3,(H,20,23)(H2,19,22,24)
InChIKeyTXLQLCKUEXVLLJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.23
Rot. Bonds7

About 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide

2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 53175067) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID53175067
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCNC(=O)Nc1ccc(OCC(=O)NCc2cccc(C)c2)nc1
InChIInChI=1S/C18H22N4O3/c1-3-19-18(24)22-15-7-8-17(21-11-15)25-12-16(23)20-10-14-6-4-5-13(2)9-14/h4-9,11H,3,10,12H2,1-2H3,(H,20,23)(H2,19,22,24)
InChIKeyTXLQLCKUEXVLLJ-UHFFFAOYSA-N
XLogP2.23
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide (CID 53175067) is 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide is CCNC(=O)Nc1ccc(OCC(=O)NCc2cccc(C)c2)nc1.
What is the InChIKey of 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is TXLQLCKUEXVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-19-18(24)22-15-7-8-17(21-11-15)25-12-16(23)20-10-14-6-4-5-13(2)9-14/h4-9,11H,3,10,12H2,1-2H3,(H,20,23)(H2,19,22,24).
What are the key properties of 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide?
2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylcarbamoylamino)-2-pyridinyl]oxy]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 53175067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).