2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide

C13H25NO — CID 21366380

IUPAC2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide
SMILESC=C(C)CC(CCCC)C(=O)NC(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h11-12H,2,6-9H2,1,3-5H3,(H,14,15)
InChIKeyJVQDXKFNCXCAPI-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.28
Rot. Bonds7

About 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide

2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide (PubChem CID 21366380) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide
PubChem CID21366380
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide
SMILESC=C(C)CC(CCCC)C(=O)NC(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h11-12H,2,6-9H2,1,3-5H3,(H,14,15)
InChIKeyJVQDXKFNCXCAPI-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.28
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-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide?
The IUPAC name of 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide (CID 21366380) is 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide?
The canonical SMILES for 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide is C=C(C)CC(CCCC)C(=O)NC(C)C.
What is the InChIKey of 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide?
The InChIKey is JVQDXKFNCXCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-12(9-10(2)3)13(15)14-11(4)5/h11-12H,2,6-9H2,1,3-5H3,(H,14,15).
What are the key properties of 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide?
2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide has a molecular weight of 211.35 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 21366380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).