(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide

C15H21NO — CID 5368482

IUPAC(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide
SMILESC#CC#CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
InChIKeyYKYOIMJLSMZUBA-VAWYXSNFSA-N
MW231.34 g/mol
LogP2.51
Rot. Bonds7

About (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide

(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide (PubChem CID 5368482) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide
PubChem CID5368482
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide
SMILESC#CC#CCCCC/C=C/C(=O)NCC(C)C
InChIInChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+
InChIKeyYKYOIMJLSMZUBA-VAWYXSNFSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide?
The IUPAC name of (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide (CID 5368482) is (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide?
The canonical SMILES for (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide is C#CC#CCCCC/C=C/C(=O)NCC(C)C.
What is the InChIKey of (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide?
The InChIKey is YKYOIMJLSMZUBA-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,11-12,14H,7-10,13H2,2-3H3,(H,16,17)/b12-11+.
What are the key properties of (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide?
(E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide has a molecular weight of 231.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)undec-2-en-8,10-diynamide is sourced from PubChem (CID 5368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).