N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide

C11H11NO2 — CID 144877271

IUPACN-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide
SMILESC#Cc1cc(O)ccc1CNC(C)=O
InChIInChI=1S/C11H11NO2/c1-3-9-6-11(14)5-4-10(9)7-12-8(2)13/h1,4-6,14H,7H2,2H3,(H,12,13)
InChIKeyMVQSGSUKIFMPPG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.01
Rot. Bonds2

About N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide

N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide (PubChem CID 144877271) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide
PubChem CID144877271
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide
SMILESC#Cc1cc(O)ccc1CNC(C)=O
InChIInChI=1S/C11H11NO2/c1-3-9-6-11(14)5-4-10(9)7-12-8(2)13/h1,4-6,14H,7H2,2H3,(H,12,13)
InChIKeyMVQSGSUKIFMPPG-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3,4-trihydroxyphenyl)methyl]acetamide
CID 160759755
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
N-[(2-tert-butylphenyl)methyl]acetamide
CID 89458599
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
N-[[3-(4-hydroxyphenyl)phenyl]methyl]acetamide
CID 56704021
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
CID 142776330

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide (CID 144877271) is N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide is C#Cc1cc(O)ccc1CNC(C)=O.
What is the InChIKey of N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide?
The InChIKey is MVQSGSUKIFMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-9-6-11(14)5-4-10(9)7-12-8(2)13/h1,4-6,14H,7H2,2H3,(H,12,13).
What are the key properties of N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide?
N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide has a molecular weight of 189.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethynyl-4-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 144877271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).