cyclononadec-8-yne-1-carboxamide

C20H35NO — CID 140560810

IUPACcyclononadec-8-yne-1-carboxamide
SMILESNC(=O)C1CCCCCCC#CCCCCCCCCCC1
InChIInChI=1S/C20H35NO/c21-20(22)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h19H,1-3,5,7-18H2,(H2,21,22)
InChIKeyGGRRMSGOMGTDKQ-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.35
Rot. Bonds1

About cyclononadec-8-yne-1-carboxamide

cyclononadec-8-yne-1-carboxamide (PubChem CID 140560810) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is cyclononadec-8-yne-1-carboxamide.

Molecular Properties

Compound Namecyclononadec-8-yne-1-carboxamide
PubChem CID140560810
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Namecyclononadec-8-yne-1-carboxamide
SMILESNC(=O)C1CCCCCCC#CCCCCCCCCCC1
InChIInChI=1S/C20H35NO/c21-20(22)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h19H,1-3,5,7-18H2,(H2,21,22)
InChIKeyGGRRMSGOMGTDKQ-UHFFFAOYSA-N
XLogP5.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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cyclooctadecane-1,7,13-tricarboxylic acid
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cyclohexanecarboxylic acid
CID 11286469
spiro[3.5]nonane-7-carboxamide
CID 90020117
oxane-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cyclononadec-8-yne-1-carboxamide?
The IUPAC name of cyclononadec-8-yne-1-carboxamide (CID 140560810) is cyclononadec-8-yne-1-carboxamide.
What is the SMILES notation for cyclononadec-8-yne-1-carboxamide?
The canonical SMILES for cyclononadec-8-yne-1-carboxamide is NC(=O)C1CCCCCCC#CCCCCCCCCCC1.
What is the InChIKey of cyclononadec-8-yne-1-carboxamide?
The InChIKey is GGRRMSGOMGTDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c21-20(22)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-19/h19H,1-3,5,7-18H2,(H2,21,22).
What are the key properties of cyclononadec-8-yne-1-carboxamide?
cyclononadec-8-yne-1-carboxamide has a molecular weight of 305.51 g/mol, XLogP of 5.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononadec-8-yne-1-carboxamide is sourced from PubChem (CID 140560810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).