N-ethyl-3-ethynyladamantane-1-carboxamide

C15H21NO — CID 89328276

IUPACN-ethyl-3-ethynyladamantane-1-carboxamide
SMILESC#CC12CC3CC(C1)CC(C(=O)NCC)(C3)C2
InChIInChI=1S/C15H21NO/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)13(17)16-4-2/h1,11-12H,4-10H2,2H3,(H,16,17)
InChIKeyOUHVTUJYCFUTTE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.34
Rot. Bonds2

About N-ethyl-3-ethynyladamantane-1-carboxamide

N-ethyl-3-ethynyladamantane-1-carboxamide (PubChem CID 89328276) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-3-ethynyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-ethynyladamantane-1-carboxamide
PubChem CID89328276
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-3-ethynyladamantane-1-carboxamide
SMILESC#CC12CC3CC(C1)CC(C(=O)NCC)(C3)C2
InChIInChI=1S/C15H21NO/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)13(17)16-4-2/h1,11-12H,4-10H2,2H3,(H,16,17)
InChIKeyOUHVTUJYCFUTTE-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.34
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-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 55368467
3-acetyladamantane-1-carbonitrile
CID 15744497
3-bromo-N-[2-oxo-2-(propylamino)ethyl]adamantane-1-carboxamide
CID 102603733
adamantane-1,3-dicarbohydrazide
CID 122207012
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)adamantane-1-carboxamide
CID 17410513
(5R,7R)-N-(1-adamantylmethyl)-3-bromoadamantane-1-carboxamide
CID 98385845
2-(adamantane-1-carbonylamino)ethyl-diethylazanium
CID 4997383
3-ethyladamantane-1-carbonyl chloride
CID 15048836
N-(2-hydroxy-4-methylpentyl)-3-methyladamantane-1-carboxamide
CID 107155296
N-(6-bromohexyl)-3-methyladamantane-1-carboxamide
CID 107847738
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methyladamantane-1-carboxamide
CID 114760837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-ethynyladamantane-1-carboxamide?
The IUPAC name of N-ethyl-3-ethynyladamantane-1-carboxamide (CID 89328276) is N-ethyl-3-ethynyladamantane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-ethynyladamantane-1-carboxamide?
The canonical SMILES for N-ethyl-3-ethynyladamantane-1-carboxamide is C#CC12CC3CC(C1)CC(C(=O)NCC)(C3)C2.
What is the InChIKey of N-ethyl-3-ethynyladamantane-1-carboxamide?
The InChIKey is OUHVTUJYCFUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14-6-11-5-12(7-14)9-15(8-11,10-14)13(17)16-4-2/h1,11-12H,4-10H2,2H3,(H,16,17).
What are the key properties of N-ethyl-3-ethynyladamantane-1-carboxamide?
N-ethyl-3-ethynyladamantane-1-carboxamide has a molecular weight of 231.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethynyladamantane-1-carboxamide is sourced from PubChem (CID 89328276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).