N-ethyl-9-methylideneoctadec-10-ynamide

C21H37NO — CID 89126172

IUPACN-ethyl-9-methylideneoctadec-10-ynamide
SMILESC=C(C#CCCCCCCC)CCCCCCCC(=O)NCC
InChIInChI=1S/C21H37NO/c1-4-6-7-8-9-11-14-17-20(3)18-15-12-10-13-16-19-21(23)22-5-2/h3-13,15-16,18-19H2,1-2H3,(H,22,23)
InChIKeyRTEOQRLUDXUSLU-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.77
Rot. Bonds14

About N-ethyl-9-methylideneoctadec-10-ynamide

N-ethyl-9-methylideneoctadec-10-ynamide (PubChem CID 89126172) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is N-ethyl-9-methylideneoctadec-10-ynamide.

Molecular Properties

Compound NameN-ethyl-9-methylideneoctadec-10-ynamide
PubChem CID89126172
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC NameN-ethyl-9-methylideneoctadec-10-ynamide
SMILESC=C(C#CCCCCCCC)CCCCCCCC(=O)NCC
InChIInChI=1S/C21H37NO/c1-4-6-7-8-9-11-14-17-20(3)18-15-12-10-13-16-19-21(23)22-5-2/h3-13,15-16,18-19H2,1-2H3,(H,22,23)
InChIKeyRTEOQRLUDXUSLU-UHFFFAOYSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-9-methylideneoctadec-10-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methylidene-N-propan-2-yloctadec-10-ynamide
CID 89126173
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N,N'-diethylnonanediamide
CID 89048639
N-ethyloctadecanamide;octadecanamide
CID 159879248
N,N'-di(tetradecyl)docosa-10,12-diynediamide
CID 146309118
N-[3-(2-methylprop-2-enoylamino)propyl]hexacosa-11,13-diynamide
CID 58297943
tetradec-7-yn-6-one
CID 12537067
pentadec-8-yn-7-one
CID 10846701
N-(3-iodoprop-2-ynyl)octanamide
CID 71381929
N-(3-hydroxypropyl)hexacosa-10,12-diynamide
CID 71323360
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-methylideneoctadec-10-ynamide?
The IUPAC name of N-ethyl-9-methylideneoctadec-10-ynamide (CID 89126172) is N-ethyl-9-methylideneoctadec-10-ynamide.
What is the SMILES notation for N-ethyl-9-methylideneoctadec-10-ynamide?
The canonical SMILES for N-ethyl-9-methylideneoctadec-10-ynamide is C=C(C#CCCCCCCC)CCCCCCCC(=O)NCC.
What is the InChIKey of N-ethyl-9-methylideneoctadec-10-ynamide?
The InChIKey is RTEOQRLUDXUSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO/c1-4-6-7-8-9-11-14-17-20(3)18-15-12-10-13-16-19-21(23)22-5-2/h3-13,15-16,18-19H2,1-2H3,(H,22,23).
What are the key properties of N-ethyl-9-methylideneoctadec-10-ynamide?
N-ethyl-9-methylideneoctadec-10-ynamide has a molecular weight of 319.53 g/mol, XLogP of 5.77, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-methylideneoctadec-10-ynamide is sourced from PubChem (CID 89126172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).