2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide

C15H29NO — CID 156569078

IUPAC2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-9-10-16-12(17)15(8,14(5,6)7)11-13(2,3)4/h9H,1,10-11H2,2-8H3,(H,16,17)
InChIKeyDZAOWQLYTGNXEV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.78
Rot. Bonds4

About 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide

2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide (PubChem CID 156569078) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
PubChem CID156569078
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-9-10-16-12(17)15(8,14(5,6)7)11-13(2,3)4/h9H,1,10-11H2,2-8H3,(H,16,17)
InChIKeyDZAOWQLYTGNXEV-UHFFFAOYSA-N
XLogP3.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
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-N-hexyl-2,4,4-trimethylpentanamide;2-tert-butyl-2,4,4-trimethyl-N-pentylpentanamide
CID 143661220
2-methyl-2-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 102442932
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-prop-2-enyl-2,2-bis(trifluoromethyl)butanamide
CID 71671966
N,2,2,6,6-pentamethyl-N'-prop-2-enyl-N-propylheptanediamide
CID 170519638
4,4-dimethyl-N-prop-2-enylpent-1-en-2-amine
CID 171790832
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
bis(3-tert-butyl-3,5,5-trimethylhexan-2-one);tungsten(2+)
CID 158863918
methanethiol;prop-2-enylcarbamic acid
CID 175464551
[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
CID 166497913
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-prop-2-enylheptanamide
CID 4623111
prop-2-enylcarbamic acid;hydrate
CID 173458484

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide?
The IUPAC name of 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide (CID 156569078) is 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide is C=CCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide?
The InChIKey is DZAOWQLYTGNXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-9-10-16-12(17)15(8,14(5,6)7)11-13(2,3)4/h9H,1,10-11H2,2-8H3,(H,16,17).
What are the key properties of 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide?
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide has a molecular weight of 239.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 156569078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).