N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide

C13H15NO2 — CID 78971076

IUPACN-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC)C(=O)c1cccc(C)c1O
InChIInChI=1S/C13H15NO2/c1-4-9-14(5-2)13(16)11-8-6-7-10(3)12(11)15/h1,6-8,15H,5,9H2,2-3H3
InChIKeyQYXGCVVQSDWNJN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.80
Rot. Bonds3

About N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide

N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide (PubChem CID 78971076) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
PubChem CID78971076
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
SMILESC#CCN(CC)C(=O)c1cccc(C)c1O
InChIInChI=1S/C13H15NO2/c1-4-9-14(5-2)13(16)11-8-6-7-10(3)12(11)15/h1,6-8,15H,5,9H2,2-3H3
InChIKeyQYXGCVVQSDWNJN-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.80
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-3-methyl-2-nitro-N-prop-2-ynylbenzamide
CID 78971101
N-(2-bromoethyl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 80660648
N-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
CID 78971167
2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 78970596
2,3-dimethyl-N-propyl-N-prop-2-ynylbenzamide
CID 78971123
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
N-ethyl-5-fluoro-2-methyl-N-prop-2-ynylbenzamide
CID 78971177
N,N-diethyl-2,3-dihydroxybenzamide
CID 15178612
2-bromo-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 103754874
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
N-(2-bromoethyl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 80666480

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide?
The IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide (CID 78971076) is N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide is C#CCN(CC)C(=O)c1cccc(C)c1O.
What is the InChIKey of N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide?
The InChIKey is QYXGCVVQSDWNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-14(5-2)13(16)11-8-6-7-10(3)12(11)15/h1,6-8,15H,5,9H2,2-3H3.
What are the key properties of N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide?
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide has a molecular weight of 217.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 78971076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).