N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

C27H13NO — CID 167639948

IUPACN-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCNC(C)=O
InChIInChI=1S/C23H4.C4H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-4(2)6/h1H,2H3;3H2,1-2H3,(H,5,6)
InChIKeyPAKJFRSDVNJQKP-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.82
Rot. Bonds1

About N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (PubChem CID 167639948) has the molecular formula C27H13NO and a molecular weight of 367.41 g/mol. Its IUPAC name is N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

Molecular Properties

Compound NameN-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
PubChem CID167639948
Molecular FormulaC27H13NO
Molecular Weight367.41 g/mol
Exact Mass367.10
IUPAC NameN-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCNC(C)=O
InChIInChI=1S/C23H4.C4H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-4(2)6/h1H,2H3;3H2,1-2H3,(H,5,6)
InChIKeyPAKJFRSDVNJQKP-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.82
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

N-(prop-2-yn-1-yl)acetamide
CID 240796
N-ethylprop-2-ynamide
CID 15741339
N-(prop-2-yn-1-yl)propanamide
CID 12155512
N-prop-2-ynylprop-2-ynamide
CID 10701796
N-(but-3-yn-1-yl)acetamide
CID 56765705
N-(but-3-yn-1-yl)pivalamide
CID 56765707
2,2-dimethyl-N-prop-2-ynyl-propionamide
CID 11051729
N,N'-diethylbut-2-ynediamide
CID 315402
N-(n-hexyl)propiolamide
CID 15389945
N-Butyl 2-propynamide
CID 19434628
N-Propargylisobutyramide
CID 22953749
N-(4-(diethylamino)but-2-yn-1-yl)acetamide
CID 15065520

Frequently Asked Questions

What is the IUPAC name of N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The IUPAC name of N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (CID 167639948) is N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.
What is the SMILES notation for N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The canonical SMILES for N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CCNC(C)=O.
What is the InChIKey of N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The InChIKey is PAKJFRSDVNJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H4.C4H9NO/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-4(2)6/h1H,2H3;3H2,1-2H3,(H,5,6).
What are the key properties of N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne has a molecular weight of 367.41 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylacetamide;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is sourced from PubChem (CID 167639948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).