N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide

C30H10NO- — CID 18714099

IUPACN-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide
SMILES[C-]#CC#CC#CC#CC#CC#C/C(=C(\C)C#CC#CC#CC#CC#CC#C)N(C)C(C)=O
InChIInChI=1S/C30H10NO/c1-6-8-10-12-14-16-18-20-22-24-26-28(3)30(31(5)29(4)32)27-25-23-21-19-17-15-13-11-9-7-2/h1H,3-5H3/q-1/b30-28-
InChIKeyPSPRBVNUVHALEW-HYOGKJQXSA-N
MW400.42 g/mol
LogP1.00
Rot. Bonds1

About N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide

N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide (PubChem CID 18714099) has the molecular formula C30H10NO- and a molecular weight of 400.42 g/mol. Its IUPAC name is N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide
PubChem CID18714099
Molecular FormulaC30H10NO-
Molecular Weight400.42 g/mol
Exact Mass400.08
IUPAC NameN-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide
SMILES[C-]#CC#CC#CC#CC#CC#C/C(=C(\C)C#CC#CC#CC#CC#CC#C)N(C)C(C)=O
InChIInChI=1S/C30H10NO/c1-6-8-10-12-14-16-18-20-22-24-26-28(3)30(31(5)29(4)32)27-25-23-21-19-17-15-13-11-9-7-2/h1H,3-5H3/q-1/b30-28-
InChIKeyPSPRBVNUVHALEW-HYOGKJQXSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide with MolForge

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Related Compounds

hexahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105-tripentacontayne
CID 177268390
hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium
CID 58058429
nonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189-pentanonacontayne
CID 123701595
octatriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecayne
CID 162424720
hexatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45-tricosayne
CID 23590172
nonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89-pentatetracontayne
CID 58354334
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582
N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
CID 167639948
[(2S)-1-hydroxy-5-oxohexan-2-yl] pentadeca-2,4,6,8,10,12,14-heptaynoate;molecular hydrogen
CID 160973297
15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne
CID 20714986
octa-3,5-diyne-2,7-dione
CID 45085430
bis(deca-1,3,5,7,9-pentaynyl)-dimethylazanium;molecular hydrogen
CID 159253344

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide?
The IUPAC name of N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide (CID 18714099) is N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide?
The canonical SMILES for N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide is [C-]#CC#CC#CC#CC#CC#C/C(=C(\C)C#CC#CC#CC#CC#CC#C)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide?
The InChIKey is PSPRBVNUVHALEW-HYOGKJQXSA-N. The full InChI is InChI=1S/C30H10NO/c1-6-8-10-12-14-16-18-20-22-24-26-28(3)30(31(5)29(4)32)27-25-23-21-19-17-15-13-11-9-7-2/h1H,3-5H3/q-1/b30-28-.
What are the key properties of N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide?
N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide is sourced from PubChem (CID 18714099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).