4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen

C15H19N3O2 — CID 162753020

IUPAC4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)NCCOc2ncc(C)cn2)cc1.[H][H]
InChIInChI=1S/C15H17N3O2.H2/c1-11-3-5-13(6-4-11)14(19)16-7-8-20-15-17-9-12(2)10-18-15;/h3-6,9-10H,7-8H2,1-2H3,(H,16,19);1H
InChIKeyWPAGIIDPPPOYFR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen

4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen (PubChem CID 162753020) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
PubChem CID162753020
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)NCCOc2ncc(C)cn2)cc1.[H][H]
InChIInChI=1S/C15H17N3O2.H2/c1-11-3-5-13(6-4-11)14(19)16-7-8-20-15-17-9-12(2)10-18-15;/h3-6,9-10H,7-8H2,1-2H3,(H,16,19);1H
InChIKeyWPAGIIDPPPOYFR-UHFFFAOYSA-N
XLogP2.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
CID 162753036
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-(3-aminooxypropyl)-4-methylbenzamide
CID 39242066
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N-(2-ethoxypyrimidin-5-yl)-4-methylbenzamide
CID 122301767
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen?
The IUPAC name of 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen (CID 162753020) is 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen?
The canonical SMILES for 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen is Cc1ccc(C(=O)NCCOc2ncc(C)cn2)cc1.[H][H].
What is the InChIKey of 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen?
The InChIKey is WPAGIIDPPPOYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.H2/c1-11-3-5-13(6-4-11)14(19)16-7-8-20-15-17-9-12(2)10-18-15;/h3-6,9-10H,7-8H2,1-2H3,(H,16,19);1H.
What are the key properties of 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen?
4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen has a molecular weight of 273.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-methylpyrimidin-2-yl)oxyethyl]benzamide;molecular hydrogen is sourced from PubChem (CID 162753020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).