tetradec-13-ynamide

C14H25NO — CID 19767571

IUPACtetradec-13-ynamide
SMILESC#CCCCCCCCCCCCC(N)=O
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H2,15,16)
InChIKeyHIBJSTGPVRTURE-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.40
Rot. Bonds11

About tetradec-13-ynamide

tetradec-13-ynamide (PubChem CID 19767571) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is tetradec-13-ynamide.

Molecular Properties

Compound Nametetradec-13-ynamide
PubChem CID19767571
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nametetradec-13-ynamide
SMILESC#CCCCCCCCCCCCC(N)=O
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H2,15,16)
InChIKeyHIBJSTGPVRTURE-UHFFFAOYSA-N
XLogP3.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.40
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

heptadec-16-ynoic acid
CID 5312626
3-(hex-5-ynylamino)propanamide
CID 106211456
undec-10-ynoyl chloride
CID 15389915
dodecanediamide;nonanediamide
CID 175017820
docosanediamide;hexacosanediamide
CID 129179979
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217
10-cyanodecanamide
CID 87916786
(2R,3S)-3-pentadec-14-ynoyloxirane-2-carboxamide
CID 126721371
copper;tridecanediamide
CID 159780260
trideca-1,12-diyne
CID 13119526
heptatriaconta-1,36-diyne
CID 58527209

Frequently Asked Questions

What is the IUPAC name of tetradec-13-ynamide?
The IUPAC name of tetradec-13-ynamide (CID 19767571) is tetradec-13-ynamide.
What is the SMILES notation for tetradec-13-ynamide?
The canonical SMILES for tetradec-13-ynamide is C#CCCCCCCCCCCCC(N)=O.
What is the InChIKey of tetradec-13-ynamide?
The InChIKey is HIBJSTGPVRTURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h1H,3-13H2,(H2,15,16).
What are the key properties of tetradec-13-ynamide?
tetradec-13-ynamide has a molecular weight of 223.36 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-13-ynamide is sourced from PubChem (CID 19767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).