2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide

C13H21NO2 — CID 106228527

IUPAC2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCOC1CC
InChIInChI=1S/C13H21NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,10-12H,4,6-9H2,1,3H3,(H,14,15)
InChIKeyLDTCQPOXOUVSQV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds5

About 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide

2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide (PubChem CID 106228527) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
PubChem CID106228527
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide
SMILESC#CC(CCC)NC(=O)C1CCOC1CC
InChIInChI=1S/C13H21NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,10-12H,4,6-9H2,1,3H3,(H,14,15)
InChIKeyLDTCQPOXOUVSQV-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-hex-1-yn-3-yloxolane-3-carboxamide
CID 103528440
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
N-hex-1-yn-3-yl-3-methylpyrrolidine-2-carboxamide
CID 106230636
2-[(2-ethyloxolane-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114105119
4-(aminomethyl)-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 106230552
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
2-ethyl-N-(1-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114105367
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
(2S,3R)-2-ethyloxolane-3-carboxylic acid
CID 97048145
(2R,3S)-2-ethyloxolane-3-carboxylic acid
CID 97048146
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide?
The IUPAC name of 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide (CID 106228527) is 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide is C#CC(CCC)NC(=O)C1CCOC1CC.
What is the InChIKey of 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide?
The InChIKey is LDTCQPOXOUVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-7-10(5-2)14-13(15)11-8-9-16-12(11)6-3/h2,10-12H,4,6-9H2,1,3H3,(H,14,15).
What are the key properties of 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide?
2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-hex-1-yn-3-yloxolane-3-carboxamide is sourced from PubChem (CID 106228527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).