N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide

C16H28N4O2 — CID 46997347

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide
SMILESCc1cc(C)n(CCCN(C)C(=O)CCN2CCCCO2)n1
InChIInChI=1S/C16H28N4O2/c1-14-13-15(2)20(17-14)10-6-8-18(3)16(21)7-11-19-9-4-5-12-22-19/h13H,4-12H2,1-3H3
InChIKeyGDWKDIGYWDZZFN-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.77
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide (PubChem CID 46997347) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide
PubChem CID46997347
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide
SMILESCc1cc(C)n(CCCN(C)C(=O)CCN2CCCCO2)n1
InChIInChI=1S/C16H28N4O2/c1-14-13-15(2)20(17-14)10-6-8-18(3)16(21)7-11-19-9-4-5-12-22-19/h13H,4-12H2,1-3H3
InChIKeyGDWKDIGYWDZZFN-UHFFFAOYSA-N
XLogP1.77
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide (CID 46997347) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide is Cc1cc(C)n(CCCN(C)C(=O)CCN2CCCCO2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide?
The InChIKey is GDWKDIGYWDZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-14-13-15(2)20(17-14)10-6-8-18(3)16(21)7-11-19-9-4-5-12-22-19/h13H,4-12H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 46997347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).