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

C14H27NO — CID 88560556

IUPAC2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyLLZWAHWTOHWCHZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.39
Rot. Bonds4

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

2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide (PubChem CID 88560556) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
PubChem CID88560556
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H27NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h8,11H,1,9-10H2,2-7H3,(H,15,16)
InChIKeyLLZWAHWTOHWCHZ-UHFFFAOYSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide (CID 88560556) is 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide is C=CCNC(=O)C(CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide?
The InChIKey is LLZWAHWTOHWCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-8-9-15-12(16)11(14(5,6)7)10-13(2,3)4/h8,11H,1,9-10H2,2-7H3,(H,15,16).
What are the key properties of 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide?
2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide has a molecular weight of 225.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 88560556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).