(E)-N-tert-butyl-2,4-dimethylpent-2-enamide

C11H21NO — CID 14383794

IUPAC(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
SMILESC/C(=C\C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b9-7+
InChIKeyZCISQZZJDQQGPY-VQHVLOKHSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds2

About (E)-N-tert-butyl-2,4-dimethylpent-2-enamide

(E)-N-tert-butyl-2,4-dimethylpent-2-enamide (PubChem CID 14383794) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-2,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
PubChem CID14383794
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
SMILESC/C(=C\C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b9-7+
InChIKeyZCISQZZJDQQGPY-VQHVLOKHSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-Trimethyl-2,5-dihydro-1-pyrrol-2-one
CID 12570221
(Z)-N-(tert-butyl)-3-ethyl-4-fluoropent-2-enamide
CID 177897438
(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89027815
(E)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89037517
N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
CID 140669758
4,5,5-trimethyl-1H-pyrrol-2-one
CID 12560817
(E)-N-tert-butyl-2-methylbut-2-enamide
CID 22743379
(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide
CID 102207387
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide
CID 135056552
(E)-N-tert-butyl-5-methylhex-2-enamide
CID 135080469
(Z)-N-(1-fluoro-2-methylpropan-2-yl)-2-methylbut-2-enamide
CID 133621036

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-tert-butyl-2,4-dimethylpent-2-enamide (CID 14383794) is (E)-N-tert-butyl-2,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-2,4-dimethylpent-2-enamide is C/C(=C\C(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2,4-dimethylpent-2-enamide?
The InChIKey is ZCISQZZJDQQGPY-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-9(3)10(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b9-7+.
What are the key properties of (E)-N-tert-butyl-2,4-dimethylpent-2-enamide?
(E)-N-tert-butyl-2,4-dimethylpent-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2,4-dimethylpent-2-enamide is sourced from PubChem (CID 14383794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).