N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide

C16H23N3O2 — CID 75119560

IUPACN-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc(C)cc2)CN1
InChIInChI=1S/C16H23N3O2/c1-3-4-14-9-16(21)19(11-17-14)10-15(20)18-13-7-5-12(2)6-8-13/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQGNBJYOQUYWFCV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.88
Rot. Bonds5

About N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide

N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide (PubChem CID 75119560) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
PubChem CID75119560
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
SMILESCCCC1CC(=O)N(CC(=O)Nc2ccc(C)cc2)CN1
InChIInChI=1S/C16H23N3O2/c1-3-4-14-9-16(21)19(11-17-14)10-15(20)18-13-7-5-12(2)6-8-13/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyQGNBJYOQUYWFCV-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide (CID 75119560) is N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide is CCCC1CC(=O)N(CC(=O)Nc2ccc(C)cc2)CN1.
What is the InChIKey of N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
The InChIKey is QGNBJYOQUYWFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-4-14-9-16(21)19(11-17-14)10-15(20)18-13-7-5-12(2)6-8-13/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide?
N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide is sourced from PubChem (CID 75119560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).