N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide

C12H21NO3 — CID 81330656

IUPACN-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(C)(C)C)O1
InChIInChI=1S/C12H21NO3/c1-8-5-6-9(16-8)11(15)13-7-10(14)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyZCUAMFMDKYRKKD-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.29
Rot. Bonds3

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

N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide (PubChem CID 81330656) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
PubChem CID81330656
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(C)(C)C)O1
InChIInChI=1S/C12H21NO3/c1-8-5-6-9(16-8)11(15)13-7-10(14)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyZCUAMFMDKYRKKD-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
CID 81002733
N-(2-amino-2-ethylbutyl)-5-methyloxolane-2-carboxamide
CID 115305753
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-methyloxolane-2-carboxamide
CID 86789765
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
5-methyl-N-(2-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81330711
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
CID 81331227
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81325244
2-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 64991981
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
CID 106128505

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide (CID 81330656) is N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCC(=O)C(C)(C)C)O1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide?
The InChIKey is ZCUAMFMDKYRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8-5-6-9(16-8)11(15)13-7-10(14)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.29, 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)-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81330656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).