5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide

C11H19NO3 — CID 81330974

IUPAC5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(C)C)O1
InChIInChI=1S/C11H19NO3/c1-7(2)9(13)6-12-11(14)10-5-4-8(3)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14)
InChIKeyRWZQQQPBWAUOPU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.90
Rot. Bonds4

About 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide

5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide (PubChem CID 81330974) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
PubChem CID81330974
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC(=O)C(C)C)O1
InChIInChI=1S/C11H19NO3/c1-7(2)9(13)6-12-11(14)10-5-4-8(3)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14)
InChIKeyRWZQQQPBWAUOPU-UHFFFAOYSA-N
XLogP0.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
CID 81330656
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
5-methyl-N-(3-oxopentan-2-yl)oxolane-2-carboxamide
CID 81330856
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
(3S)-5-methyl-3-[[(5-methyloxolane-2-carbonyl)amino]methyl]hexanoic acid
CID 81324785
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-(2-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81330711
N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-(1-cyanopropan-2-yl)-5-methyloxolane-2-carboxamide
CID 80995980

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide (CID 81330974) is 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide is CC1CCC(C(=O)NCC(=O)C(C)C)O1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide?
The InChIKey is RWZQQQPBWAUOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)9(13)6-12-11(14)10-5-4-8(3)15-10/h7-8,10H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide?
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide is sourced from PubChem (CID 81330974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).