2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide

C13H25NO — CID 88877368

IUPAC2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
SMILESCC(C)=CC(C)(C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)9-13(6,12(3,4)5)11(15)14(7)8/h9H,1-8H3
InChIKeyHYZKVJUZMMMVIC-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.09
Rot. Bonds2

About 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide

2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide (PubChem CID 88877368) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide.

Molecular Properties

Compound Name2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
PubChem CID88877368
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide
SMILESCC(C)=CC(C)(C(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-10(2)9-13(6,12(3,4)5)11(15)14(7)8/h9H,1-8H3
InChIKeyHYZKVJUZMMMVIC-UHFFFAOYSA-N
XLogP3.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-2,4-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 89122831
2-hydroxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 87664251
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethanesulfonic acid
CID 89046420
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 89235047
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxyethoxy-hydroxy-oxophosphanium
CID 88951585
2-(2-tert-butyl-2,4-dimethylpent-3-enoyl)oxy-1,1-difluoroethanesulfonic acid
CID 89310069
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 88902065
4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
CID 23268138
2-[1-(dimethylamino)-2-methyl-1-oxopropan-2-yl]oxy-N,N,2-trimethylpropanamide
CID 142784953
N,N-dimethylacetamide;formaldehyde
CID 54040691
[(7R)-3-hydroxy-1-adamantyl] 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 71187774
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide?
The IUPAC name of 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide (CID 88877368) is 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide.
What is the SMILES notation for 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide?
The canonical SMILES for 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide is CC(C)=CC(C)(C(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide?
The InChIKey is HYZKVJUZMMMVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)9-13(6,12(3,4)5)11(15)14(7)8/h9H,1-8H3.
What are the key properties of 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide?
2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N,2,4-tetramethylpent-3-enamide is sourced from PubChem (CID 88877368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).