9-methylidene-N-propan-2-yloctadec-10-ynamide

C22H39NO — CID 89126173

IUPAC9-methylidene-N-propan-2-yloctadec-10-ynamide
SMILESC=C(C#CCCCCCCC)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C22H39NO/c1-5-6-7-8-9-11-14-17-21(4)18-15-12-10-13-16-19-22(24)23-20(2)3/h20H,4-13,15-16,18-19H2,1-3H3,(H,23,24)
InChIKeySOBPCBYCKADZFM-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.16
Rot. Bonds14

About 9-methylidene-N-propan-2-yloctadec-10-ynamide

9-methylidene-N-propan-2-yloctadec-10-ynamide (PubChem CID 89126173) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 9-methylidene-N-propan-2-yloctadec-10-ynamide.

Molecular Properties

Compound Name9-methylidene-N-propan-2-yloctadec-10-ynamide
PubChem CID89126173
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name9-methylidene-N-propan-2-yloctadec-10-ynamide
SMILESC=C(C#CCCCCCCC)CCCCCCCC(=O)NC(C)C
InChIInChI=1S/C22H39NO/c1-5-6-7-8-9-11-14-17-21(4)18-15-12-10-13-16-19-22(24)23-20(2)3/h20H,4-13,15-16,18-19H2,1-3H3,(H,23,24)
InChIKeySOBPCBYCKADZFM-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.16
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'}

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Related Compounds

N-ethyl-9-methylideneoctadec-10-ynamide
CID 89126172
N,N'-di(propan-2-yl)decanediamide
CID 58997511
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
N-[(2S)-3-oxododecan-2-yl]nonanamide
CID 160686948
pentadec-8-yn-7-one
CID 10846701
N-pentan-2-ylundecanamide
CID 173258559
tetradec-7-yn-6-one
CID 12537067
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-heptan-2-yldodecanamide
CID 3484810
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylnonanamide
CID 4188803
N-butan-2-ylhexacosanamide
CID 163047877

Frequently Asked Questions

What is the IUPAC name of 9-methylidene-N-propan-2-yloctadec-10-ynamide?
The IUPAC name of 9-methylidene-N-propan-2-yloctadec-10-ynamide (CID 89126173) is 9-methylidene-N-propan-2-yloctadec-10-ynamide.
What is the SMILES notation for 9-methylidene-N-propan-2-yloctadec-10-ynamide?
The canonical SMILES for 9-methylidene-N-propan-2-yloctadec-10-ynamide is C=C(C#CCCCCCCC)CCCCCCCC(=O)NC(C)C.
What is the InChIKey of 9-methylidene-N-propan-2-yloctadec-10-ynamide?
The InChIKey is SOBPCBYCKADZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-5-6-7-8-9-11-14-17-21(4)18-15-12-10-13-16-19-22(24)23-20(2)3/h20H,4-13,15-16,18-19H2,1-3H3,(H,23,24).
What are the key properties of 9-methylidene-N-propan-2-yloctadec-10-ynamide?
9-methylidene-N-propan-2-yloctadec-10-ynamide has a molecular weight of 333.56 g/mol, XLogP of 6.16, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidene-N-propan-2-yloctadec-10-ynamide is sourced from PubChem (CID 89126173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).