N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide

C11H17NO — CID 123264155

IUPACN-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
SMILESC=CC=C(C=C)N(C)C(=O)C(C)C
InChIInChI=1S/C11H17NO/c1-6-8-10(7-2)12(5)11(13)9(3)4/h6-9H,1-2H2,3-5H3
InChIKeyVTBPQUFROJUKKB-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.36
Rot. Bonds4

About N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide

N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide (PubChem CID 123264155) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
PubChem CID123264155
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
SMILESC=CC=C(C=C)N(C)C(=O)C(C)C
InChIInChI=1S/C11H17NO/c1-6-8-10(7-2)12(5)11(13)9(3)4/h6-9H,1-2H2,3-5H3
InChIKeyVTBPQUFROJUKKB-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N,3,3-trimethyl-N-penta-1,3-dien-3-ylbutanamide
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N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide
CID 123368066
N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide
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N-hexa-1,3,5-trien-3-yl-N,3,3-trimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide?
The IUPAC name of N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide (CID 123264155) is N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide.
What is the SMILES notation for N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide?
The canonical SMILES for N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide is C=CC=C(C=C)N(C)C(=O)C(C)C.
What is the InChIKey of N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide?
The InChIKey is VTBPQUFROJUKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-6-8-10(7-2)12(5)11(13)9(3)4/h6-9H,1-2H2,3-5H3.
What are the key properties of N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide?
N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide is sourced from PubChem (CID 123264155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).