N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide

C11H21NO2 — CID 166835322

IUPACN-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-7-9(13)12-10(2,3)8-11(4,5)14-6/h7H,1,8H2,2-6H3,(H,12,13)
InChIKeyPIMJJOLSOSOWAB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide

N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide (PubChem CID 166835322) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
PubChem CID166835322
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-7-9(13)12-10(2,3)8-11(4,5)14-6/h7H,1,8H2,2-6H3,(H,12,13)
InChIKeyPIMJJOLSOSOWAB-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-4-methyl-4-(prop-2-enoylamino)pentan-2-yl]phosphonic acid
CID 88935164
CID 174301773
CID 174301773
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
[2-methyl-2-(prop-2-enoylamino)propyl]sulfonyl 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 154084381
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
sodium;methanol;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 175540751
potassium;sodium;hydride;bis(2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid)
CID 175213008
sodium;methanolate;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 175540739
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
CID 18920614
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
CID 86215980
N-(2-methyl-1-oxidoperoxysulfanylpropan-2-yl)prop-2-enamide
CID 58969286

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide (CID 166835322) is N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)CC(C)(C)OC.
What is the InChIKey of N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide?
The InChIKey is PIMJJOLSOSOWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-9(13)12-10(2,3)8-11(4,5)14-6/h7H,1,8H2,2-6H3,(H,12,13).
What are the key properties of N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide?
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 166835322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).