N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide

C14H25NO3 — CID 65155257

IUPACN-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(=O)C(C)(C)C)C1C
InChIInChI=1S/C14H25NO3/c1-8-9(2)18-10(3)12(8)13(17)15-7-11(16)14(4,5)6/h8-10,12H,7H2,1-6H3,(H,15,17)
InChIKeyIVQBSAWWWAHNAA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.78
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 65155257) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID65155257
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(=O)C(C)(C)C)C1C
InChIInChI=1S/C14H25NO3/c1-8-9(2)18-10(3)12(8)13(17)15-7-11(16)14(4,5)6/h8-10,12H,7H2,1-6H3,(H,15,17)
InChIKeyIVQBSAWWWAHNAA-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 65155257) is N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(=O)C(C)(C)C)C1C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is IVQBSAWWWAHNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-9(2)18-10(3)12(8)13(17)15-7-11(16)14(4,5)6/h8-10,12H,7H2,1-6H3,(H,15,17).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 65155257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).