2-tert-butyl-N-propan-2-ylpent-4-enamide

C12H23NO — CID 21366387

IUPAC2-tert-butyl-N-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyDYTAQOMPEXGPAN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds4

About 2-tert-butyl-N-propan-2-ylpent-4-enamide

2-tert-butyl-N-propan-2-ylpent-4-enamide (PubChem CID 21366387) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-ylpent-4-enamide
PubChem CID21366387
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-tert-butyl-N-propan-2-ylpent-4-enamide
SMILESC=CCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h7,9-10H,1,8H2,2-6H3,(H,13,14)
InChIKeyDYTAQOMPEXGPAN-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
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-N-propan-2-ylpent-4-enamide?
The IUPAC name of 2-tert-butyl-N-propan-2-ylpent-4-enamide (CID 21366387) is 2-tert-butyl-N-propan-2-ylpent-4-enamide.
What is the SMILES notation for 2-tert-butyl-N-propan-2-ylpent-4-enamide?
The canonical SMILES for 2-tert-butyl-N-propan-2-ylpent-4-enamide is C=CCC(C(=O)NC(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-propan-2-ylpent-4-enamide?
The InChIKey is DYTAQOMPEXGPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h7,9-10H,1,8H2,2-6H3,(H,13,14).
What are the key properties of 2-tert-butyl-N-propan-2-ylpent-4-enamide?
2-tert-butyl-N-propan-2-ylpent-4-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-ylpent-4-enamide is sourced from PubChem (CID 21366387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).