N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide

C16H15NO2 — CID 78971167

IUPACN-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
SMILESC#CCN(CC)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H15NO2/c1-3-11-17(4-2)16(19)14-10-9-12-7-5-6-8-13(12)15(14)18/h1,5-10,18H,4,11H2,2H3
InChIKeyINAYNFQZWYASFL-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.64
Rot. Bonds3

About N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide

N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide (PubChem CID 78971167) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
PubChem CID78971167
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
SMILESC#CCN(CC)C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H15NO2/c1-3-11-17(4-2)16(19)14-10-9-12-7-5-6-8-13(12)15(14)18/h1,5-10,18H,4,11H2,2H3
InChIKeyINAYNFQZWYASFL-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.64
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-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
CID 43319188
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
CID 78959159
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
6-bromo-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 103889846
N-but-2-ynyl-1-hydroxynaphthalene-2-carboxamide
CID 113342440
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
N-[2-(ethylamino)ethyl]-1-hydroxynaphthalene-2-carboxamide
CID 62656875
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
3-[(1-hydroxynaphthalene-2-carbonyl)-methylamino]propanoic acid
CID 60988949

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide?
The IUPAC name of N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide (CID 78971167) is N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide is C#CCN(CC)C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide?
The InChIKey is INAYNFQZWYASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-11-17(4-2)16(19)14-10-9-12-7-5-6-8-13(12)15(14)18/h1,5-10,18H,4,11H2,2H3.
What are the key properties of N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide?
N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide is sourced from PubChem (CID 78971167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).