N-ethyl-N-prop-2-ynyladamantane-1-carboxamide

C16H23NO — CID 78971141

IUPACN-ethyl-N-prop-2-ynyladamantane-1-carboxamide
SMILESC#CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO/c1-3-5-17(4-2)15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-14H,4-11H2,2H3
InChIKeyUIMZTZGHUXASED-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.68
Rot. Bonds3

About N-ethyl-N-prop-2-ynyladamantane-1-carboxamide

N-ethyl-N-prop-2-ynyladamantane-1-carboxamide (PubChem CID 78971141) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynyladamantane-1-carboxamide
PubChem CID78971141
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-N-prop-2-ynyladamantane-1-carboxamide
SMILESC#CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NO/c1-3-5-17(4-2)15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-14H,4-11H2,2H3
InChIKeyUIMZTZGHUXASED-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynyladamantane-1-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynyladamantane-1-carboxamide (CID 78971141) is N-ethyl-N-prop-2-ynyladamantane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynyladamantane-1-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynyladamantane-1-carboxamide is C#CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-ethyl-N-prop-2-ynyladamantane-1-carboxamide?
The InChIKey is UIMZTZGHUXASED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-5-17(4-2)15(18)16-9-12-6-13(10-16)8-14(7-12)11-16/h1,12-14H,4-11H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynyladamantane-1-carboxamide?
N-ethyl-N-prop-2-ynyladamantane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynyladamantane-1-carboxamide is sourced from PubChem (CID 78971141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).