N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide

C19H28N6O4 — CID 170273331

IUPACN-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide
SMILESCc1ncc(-c2cn(CC(C)(C)OCC(C)(C)NC(=O)COCC=O)nn2)cn1
InChIInChI=1S/C19H28N6O4/c1-14-20-8-15(9-21-14)16-10-25(24-23-16)12-19(4,5)29-13-18(2,3)22-17(27)11-28-7-6-26/h6,8-10H,7,11-13H2,1-5H3,(H,22,27)
InChIKeyAUZFZRNAFLUOAL-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.95
Rot. Bonds11

About N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide

N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide (PubChem CID 170273331) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide
PubChem CID170273331
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC NameN-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide
SMILESCc1ncc(-c2cn(CC(C)(C)OCC(C)(C)NC(=O)COCC=O)nn2)cn1
InChIInChI=1S/C19H28N6O4/c1-14-20-8-15(9-21-14)16-10-25(24-23-16)12-19(4,5)29-13-18(2,3)22-17(27)11-28-7-6-26/h6,8-10H,7,11-13H2,1-5H3,(H,22,27)
InChIKeyAUZFZRNAFLUOAL-UHFFFAOYSA-N
XLogP0.95
TPSA121.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide?
The IUPAC name of N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide (CID 170273331) is N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide.
What is the SMILES notation for N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide?
The canonical SMILES for N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide is Cc1ncc(-c2cn(CC(C)(C)OCC(C)(C)NC(=O)COCC=O)nn2)cn1.
What is the InChIKey of N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide?
The InChIKey is AUZFZRNAFLUOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-14-20-8-15(9-21-14)16-10-25(24-23-16)12-19(4,5)29-13-18(2,3)22-17(27)11-28-7-6-26/h6,8-10H,7,11-13H2,1-5H3,(H,22,27).
What are the key properties of N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide?
N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide has a molecular weight of 404.47 g/mol, XLogP of 0.95, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[2-methyl-1-[4-(2-methylpyrimidin-5-yl)triazol-1-yl]propan-2-yl]oxypropan-2-yl]-2-(2-oxoethoxy)acetamide is sourced from PubChem (CID 170273331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).