N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide

C16H21NO — CID 71337744

IUPACN-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
SMILESCC#CC#CCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChIKeyFOAKNWSNLWCNHO-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.68
Rot. Bonds6

About N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide

N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide (PubChem CID 71337744) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide.

Molecular Properties

Compound NameN-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
PubChem CID71337744
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
SMILESCC#CC#CCCC=CC=CC(=O)NCC(C)C
InChIInChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChIKeyFOAKNWSNLWCNHO-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.68
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
dodeca-2,4-dien-8,10-diynoic acid
CID 91310253
(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
CID 101414630
(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
CID 14259841
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide?
The IUPAC name of N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide (CID 71337744) is N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide.
What is the SMILES notation for N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide?
The canonical SMILES for N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide is CC#CC#CCCC=CC=CC(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide?
The InChIKey is FOAKNWSNLWCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18).
What are the key properties of N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide?
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide has a molecular weight of 243.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide is sourced from PubChem (CID 71337744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).