N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide

C9H17NO4 — CID 141494137

IUPACN,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)COOOC1
InChIInChI=1S/C9H17NO4/c1-7(2)10(4)8(11)9(3)5-12-14-13-6-9/h7H,5-6H2,1-4H3
InChIKeyZYXOODZPPPJHOO-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.75
Rot. Bonds2

About N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide

N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide (PubChem CID 141494137) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide
PubChem CID141494137
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide
SMILESCC(C)N(C)C(=O)C1(C)COOOC1
InChIInChI=1S/C9H17NO4/c1-7(2)10(4)8(11)9(3)5-12-14-13-6-9/h7H,5-6H2,1-4H3
InChIKeyZYXOODZPPPJHOO-UHFFFAOYSA-N
XLogP0.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide?
The IUPAC name of N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide (CID 141494137) is N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide?
The canonical SMILES for N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide is CC(C)N(C)C(=O)C1(C)COOOC1.
What is the InChIKey of N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide?
The InChIKey is ZYXOODZPPPJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(2)10(4)8(11)9(3)5-12-14-13-6-9/h7H,5-6H2,1-4H3.
What are the key properties of N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide?
N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propan-2-yltrioxane-5-carboxamide is sourced from PubChem (CID 141494137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).