(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen

C16H27N3O3 — CID 144973570

IUPAC(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen
SMILESCCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O.[H][H].[H][H]
InChIInChI=1S/C16H23N3O3.2H2/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13;;/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20);2*1H/t12?,14-;;/m0../s1
InChIKeyWWPRYGSGSWOWPQ-IRDULIORSA-N
MW309.41 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen

(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen (PubChem CID 144973570) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen
PubChem CID144973570
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen
SMILESCCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O.[H][H].[H][H]
InChIInChI=1S/C16H23N3O3.2H2/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13;;/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20);2*1H/t12?,14-;;/m0../s1
InChIKeyWWPRYGSGSWOWPQ-IRDULIORSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen?
The IUPAC name of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen (CID 144973570) is (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen.
What is the SMILES notation for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen?
The canonical SMILES for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen is CCC[C@@H](C(=O)NNc1ccccc1)N1COCC(C)C1=O.[H][H].[H][H].
What is the InChIKey of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen?
The InChIKey is WWPRYGSGSWOWPQ-IRDULIORSA-N. The full InChI is InChI=1S/C16H23N3O3.2H2/c1-3-7-14(19-11-22-10-12(2)16(19)21)15(20)18-17-13-8-5-4-6-9-13;;/h4-6,8-9,12,14,17H,3,7,10-11H2,1-2H3,(H,18,20);2*1H/t12?,14-;;/m0../s1.
What are the key properties of (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen?
(2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen has a molecular weight of 309.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-4-oxo-1,3-oxazinan-3-yl)-N'-phenylpentanehydrazide;molecular hydrogen is sourced from PubChem (CID 144973570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).