(diacetylamino) 3,3-dimethylpentanoate

C11H19NO4 — CID 157202172

IUPAC(diacetylamino) 3,3-dimethylpentanoate
SMILESCCC(C)(C)CC(=O)ON(C(C)=O)C(C)=O
InChIInChI=1S/C11H19NO4/c1-6-11(4,5)7-10(15)16-12(8(2)13)9(3)14/h6-7H2,1-5H3
InChIKeyUACGCGFJKCMUEL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds3

About (diacetylamino) 3,3-dimethylpentanoate

(diacetylamino) 3,3-dimethylpentanoate (PubChem CID 157202172) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (diacetylamino) 3,3-dimethylpentanoate.

Molecular Properties

Compound Name(diacetylamino) 3,3-dimethylpentanoate
PubChem CID157202172
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(diacetylamino) 3,3-dimethylpentanoate
SMILESCCC(C)(C)CC(=O)ON(C(C)=O)C(C)=O
InChIInChI=1S/C11H19NO4/c1-6-11(4,5)7-10(15)16-12(8(2)13)9(3)14/h6-7H2,1-5H3
InChIKeyUACGCGFJKCMUEL-UHFFFAOYSA-N
XLogP1.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(diacetylamino) 3,3-dimethylpentanoate;ethane;[4-(2-methylbutan-2-yl)phenyl] acetate
CID 157202171
methyl 3,3-dimethylpentanoate
CID 3757207
N,N,3,3-tetramethylpentanamide
CID 23394541
N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
(2S)-2-[acetyl(ethyl)amino]-2-ethylbutanedioic acid
CID 54047371
3-ethylpentan-3-yl 4,4-dimethylhexanoate
CID 88590012
methyl 3,5,5-trimethyl-3-propan-2-ylheptanoate
CID 89027208
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
CID 130272423
2,2-dimethylbutyl 3,3,3-trifluoropropanoate
CID 140839252
bis(2-methylbutyl) 3,3-dimethylpentanedioate
CID 90282141
N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 89228630
methyl 5-bromo-3,3,5-trimethylheptanoate
CID 89376029

Frequently Asked Questions

What is the IUPAC name of (diacetylamino) 3,3-dimethylpentanoate?
The IUPAC name of (diacetylamino) 3,3-dimethylpentanoate (CID 157202172) is (diacetylamino) 3,3-dimethylpentanoate.
What is the SMILES notation for (diacetylamino) 3,3-dimethylpentanoate?
The canonical SMILES for (diacetylamino) 3,3-dimethylpentanoate is CCC(C)(C)CC(=O)ON(C(C)=O)C(C)=O.
What is the InChIKey of (diacetylamino) 3,3-dimethylpentanoate?
The InChIKey is UACGCGFJKCMUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-6-11(4,5)7-10(15)16-12(8(2)13)9(3)14/h6-7H2,1-5H3.
What are the key properties of (diacetylamino) 3,3-dimethylpentanoate?
(diacetylamino) 3,3-dimethylpentanoate has a molecular weight of 229.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diacetylamino) 3,3-dimethylpentanoate is sourced from PubChem (CID 157202172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).