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

C16H23NO — CID 14259836

IUPAC(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
SMILESC#CC#CCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+
InChIKeyGVXYCOGZGQWTFZ-OUKQBFOZSA-N
MW245.37 g/mol
LogP2.90
Rot. Bonds8

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

(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide (PubChem CID 14259836) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
PubChem CID14259836
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide
SMILESC#CC#CCCCC/C=C/C(=O)NCC(C)CC
InChIInChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+
InChIKeyGVXYCOGZGQWTFZ-OUKQBFOZSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.90
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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Related Compounds

(E)-N-(2-methylbutyl)non-2-en-6,8-diynamide
CID 86675571
(E)-N-(2-methylpropyl)non-2-en-6,8-diynamide
CID 101414630
N-(2-methylbutyl)dodec-2-enamide
CID 163098446
(2E,4E)-N-[(2R)-2-methylbutyl]deca-2,4-dienamide
CID 38347217
N-(2-methylbutyl)dodeca-2,4-dienamide
CID 162868762
(2E,4E)-N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide;(2E,4E)-undeca-2,4-dien-8,10-diynoic acid
CID 160813359
N-(2-methylpropyl)dodeca-2,8-dienamide
CID 78385027
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
CID 14259841
(2E,7Z,9E)-N-(2-methylpropyl)undeca-2,7,9-trienamide
CID 10776149
hepta-1,3,5-triyne;hexa-1,3,5-triyne;(2E,6Z,8E)-N-(2-methylpropyl)deca-2,6,8-trienamide;(3E,7Z,9E)-undeca-3,7,9-trien-2-one
CID 160629339
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide?
The IUPAC name of (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide (CID 14259836) is (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide.
What is the SMILES notation for (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide?
The canonical SMILES for (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide is C#CC#CCCCC/C=C/C(=O)NCC(C)CC.
What is the InChIKey of (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide?
The InChIKey is GVXYCOGZGQWTFZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-6-7-8-9-10-11-12-13-16(18)17-14-15(3)5-2/h1,12-13,15H,5,8-11,14H2,2-3H3,(H,17,18)/b13-12+.
What are the key properties of (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide?
(E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide has a molecular weight of 245.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutyl)undec-2-en-8,10-diynamide is sourced from PubChem (CID 14259836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).