N-ethyl-N-penta-2,4-dien-2-ylbutanamide

C11H19NO — CID 123333115

IUPACN-ethyl-N-penta-2,4-dien-2-ylbutanamide
SMILESC=CC=C(C)N(CC)C(=O)CCC
InChIInChI=1S/C11H19NO/c1-5-8-10(4)12(7-3)11(13)9-6-2/h5,8H,1,6-7,9H2,2-4H3
InChIKeyPLYPGOLPOJFGMZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-N-penta-2,4-dien-2-ylbutanamide

N-ethyl-N-penta-2,4-dien-2-ylbutanamide (PubChem CID 123333115) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-N-penta-2,4-dien-2-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-penta-2,4-dien-2-ylbutanamide
PubChem CID123333115
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-N-penta-2,4-dien-2-ylbutanamide
SMILESC=CC=C(C)N(CC)C(=O)CCC
InChIInChI=1S/C11H19NO/c1-5-8-10(4)12(7-3)11(13)9-6-2/h5,8H,1,6-7,9H2,2-4H3
InChIKeyPLYPGOLPOJFGMZ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.72
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

N-butyl-N-[(E)-prop-1-enyl]propanamide
CID 13169227
Pyridine, 1,2-dihydro-1-(1-oxobutyl)-
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N-[(1E)-buta-1,3-dienyl]-N-propan-2-ylpropanamide
CID 10877509
N-[(E)-but-2-enyl]-N-methylbutanamide
CID 20644855
1-(Azepin-1-yl)butan-1-one
CID 21736121
1-Hepta-1,3,5-trien-4-ylpyrrolidin-2-one
CID 59893694
N-hexa-1,3,5-trien-3-yl-N,2-dimethylpropanamide
CID 123264155
N-but-2-en-2-yl-N-methylbutanamide
CID 123264495
N,3,3-trimethyl-N-penta-1,3-dien-3-ylbutanamide
CID 123343650
N-ethyl-N-hepta-1,3,5-trien-3-ylacetamide
CID 123368066
N-penta-1,3-dien-2-yl-N-propan-2-ylacetamide
CID 123539685
N-but-2-en-2-yl-N-ethyl-3,3-dimethylbutanamide
CID 123549027

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-penta-2,4-dien-2-ylbutanamide?
The IUPAC name of N-ethyl-N-penta-2,4-dien-2-ylbutanamide (CID 123333115) is N-ethyl-N-penta-2,4-dien-2-ylbutanamide.
What is the SMILES notation for N-ethyl-N-penta-2,4-dien-2-ylbutanamide?
The canonical SMILES for N-ethyl-N-penta-2,4-dien-2-ylbutanamide is C=CC=C(C)N(CC)C(=O)CCC.
What is the InChIKey of N-ethyl-N-penta-2,4-dien-2-ylbutanamide?
The InChIKey is PLYPGOLPOJFGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-8-10(4)12(7-3)11(13)9-6-2/h5,8H,1,6-7,9H2,2-4H3.
What are the key properties of N-ethyl-N-penta-2,4-dien-2-ylbutanamide?
N-ethyl-N-penta-2,4-dien-2-ylbutanamide has a molecular weight of 181.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-penta-2,4-dien-2-ylbutanamide is sourced from PubChem (CID 123333115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).