(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide

C15H19NO — CID 163105260

IUPAC(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide
SMILESCC#CC#CC/C=C/C=C/C(=O)N[C@H](C)CC
InChIInChI=1S/C15H19NO/c1-4-6-7-8-9-10-11-12-13-15(17)16-14(3)5-2/h10-14H,5,9H2,1-3H3,(H,16,17)/b11-10+,13-12+/t14-/m1/s1
InChIKeyNRCJHYZZFRHVPS-PBKZMAJUSA-N
MW229.32 g/mol
LogP2.43
Rot. Bonds5

About (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide

(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide (PubChem CID 163105260) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide.

Molecular Properties

Compound Name(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide
PubChem CID163105260
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide
SMILESCC#CC#CC/C=C/C=C/C(=O)N[C@H](C)CC
InChIInChI=1S/C15H19NO/c1-4-6-7-8-9-10-11-12-13-15(17)16-14(3)5-2/h10-14H,5,9H2,1-3H3,(H,16,17)/b11-10+,13-12+/t14-/m1/s1
InChIKeyNRCJHYZZFRHVPS-PBKZMAJUSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide?
The IUPAC name of (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide (CID 163105260) is (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide.
What is the SMILES notation for (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide?
The canonical SMILES for (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide is CC#CC#CC/C=C/C=C/C(=O)N[C@H](C)CC.
What is the InChIKey of (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide?
The InChIKey is NRCJHYZZFRHVPS-PBKZMAJUSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-6-7-8-9-10-11-12-13-15(17)16-14(3)5-2/h10-14H,5,9H2,1-3H3,(H,16,17)/b11-10+,13-12+/t14-/m1/s1.
What are the key properties of (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide?
(2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide has a molecular weight of 229.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(2R)-butan-2-yl]undeca-2,4-dien-7,9-diynamide is sourced from PubChem (CID 163105260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).