N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide

C11H11NO2 — CID 12581419

IUPACN-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)c1ccccc1O
InChIInChI=1S/C11H11NO2/c1-3-8-12(9(2)13)10-6-4-5-7-11(10)14/h1,4-7,14H,8H2,2H3
InChIKeyORYOVIBABBXNEZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.38
Rot. Bonds2

About N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide

N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide (PubChem CID 12581419) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
PubChem CID12581419
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC NameN-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
SMILESC#CCN(C(C)=O)c1ccccc1O
InChIInChI=1S/C11H11NO2/c1-3-8-12(9(2)13)10-6-4-5-7-11(10)14/h1,4-7,14H,8H2,2H3
InChIKeyORYOVIBABBXNEZ-UHFFFAOYSA-N
XLogP1.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-hydroxyphenyl)-N-prop-2-ynylacetamide?
The IUPAC name of N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide (CID 12581419) is N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide is C#CCN(C(C)=O)c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide?
The InChIKey is ORYOVIBABBXNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-8-12(9(2)13)10-6-4-5-7-11(10)14/h1,4-7,14H,8H2,2H3.
What are the key properties of N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide?
N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide has a molecular weight of 189.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 12581419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).