N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide

C12H21NO — CID 123618064

IUPACN-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide
SMILESCC=CC=C(CC)CNC(=O)C(C)C
InChIInChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-13-12(14)10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14)
InChIKeyOEGPSZBVAYCKMT-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.67
Rot. Bonds5

About N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide

N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide (PubChem CID 123618064) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide
PubChem CID123618064
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide
SMILESCC=CC=C(CC)CNC(=O)C(C)C
InChIInChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-13-12(14)10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14)
InChIKeyOEGPSZBVAYCKMT-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide?
The IUPAC name of N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide (CID 123618064) is N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide?
The canonical SMILES for N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide is CC=CC=C(CC)CNC(=O)C(C)C.
What is the InChIKey of N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide?
The InChIKey is OEGPSZBVAYCKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-8-11(6-2)9-13-12(14)10(3)4/h5,7-8,10H,6,9H2,1-4H3,(H,13,14).
What are the key properties of N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide?
N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide has a molecular weight of 195.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexa-2,4-dienyl)-2-methylpropanamide is sourced from PubChem (CID 123618064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).