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

C30H11NO — CID 18714100

IUPACN-methyl-N-[(Z)-14-methylhexacos-13-en-1,3,5,7,9,11,15,17,19,21,23,25-dodecayn-13-yl]acetamide
SMILESC#CC#CC#CC#CC#CC#C/C(C)=C(/C#CC#CC#CC#CC#CC#C)N(C)C(C)=O
InChIInChI=1S/C30H11NO/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/h1-2H,3-5H3/b30-28-
InChIKeyJWHXZPADCCDGHW-HYOGKJQXSA-N
MW401.42 g/mol
LogP1.04
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 18714100) has the molecular formula C30H11NO and a molecular weight of 401.42 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 CID18714100
Molecular FormulaC30H11NO
Molecular Weight401.42 g/mol
Exact Mass401.08
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
SMILESC#CC#CC#CC#CC#CC#C/C(C)=C(/C#CC#CC#CC#CC#CC#C)N(C)C(C)=O
InChIInChI=1S/C30H11NO/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/h1-2H,3-5H3/b30-28-
InChIKeyJWHXZPADCCDGHW-HYOGKJQXSA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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 18714100) 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 JWHXZPADCCDGHW-HYOGKJQXSA-N. The full InChI is InChI=1S/C30H11NO/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/h1-2H,3-5H3/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 401.42 g/mol, XLogP of 1.04, 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 18714100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).