N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide

C10H19NO3 — CID 58758960

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H19NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyIFZMRCSYPMGGBH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.91
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide (PubChem CID 58758960) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
PubChem CID58758960
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H19NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyIFZMRCSYPMGGBH-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide (CID 58758960) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
The InChIKey is IFZMRCSYPMGGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)9(12)11-5-8-6-13-10(3,4)14-8/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 58758960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).