2-methyl-N-propyl-1,3-dioxane-5-carboxamide

C9H17NO3 — CID 141007817

IUPAC2-methyl-N-propyl-1,3-dioxane-5-carboxamide
SMILESCCCNC(=O)C1COC(C)OC1
InChIInChI=1S/C9H17NO3/c1-3-4-10-9(11)8-5-12-7(2)13-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyYUMOHKNHPJTSMV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.52
Rot. Bonds3

About 2-methyl-N-propyl-1,3-dioxane-5-carboxamide

2-methyl-N-propyl-1,3-dioxane-5-carboxamide (PubChem CID 141007817) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-N-propyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propyl-1,3-dioxane-5-carboxamide
PubChem CID141007817
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methyl-N-propyl-1,3-dioxane-5-carboxamide
SMILESCCCNC(=O)C1COC(C)OC1
InChIInChI=1S/C9H17NO3/c1-3-4-10-9(11)8-5-12-7(2)13-6-8/h7-8H,3-6H2,1-2H3,(H,10,11)
InChIKeyYUMOHKNHPJTSMV-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-2-methyl-1,3-dioxane-5-carboxamide
CID 141007804
N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
N-propyl-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 46842798
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
3,3-difluoro-N-propylcyclobutane-1-carboxamide
CID 130711162
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
3-N-propylcyclopentane-1,3-dicarboxamide
CID 68522945
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-propyladamantane-2-carboxamide
CID 78913673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The IUPAC name of 2-methyl-N-propyl-1,3-dioxane-5-carboxamide (CID 141007817) is 2-methyl-N-propyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 2-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 2-methyl-N-propyl-1,3-dioxane-5-carboxamide is CCCNC(=O)C1COC(C)OC1.
What is the InChIKey of 2-methyl-N-propyl-1,3-dioxane-5-carboxamide?
The InChIKey is YUMOHKNHPJTSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-10-9(11)8-5-12-7(2)13-6-8/h7-8H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-N-propyl-1,3-dioxane-5-carboxamide?
2-methyl-N-propyl-1,3-dioxane-5-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 141007817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).