2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide

C14H16N2O3 — CID 54923051

IUPAC2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccccc1C#CCCO
InChIInChI=1S/C14H16N2O3/c1-11(18)15-10-14(19)16-13-8-3-2-6-12(13)7-4-5-9-17/h2-3,6,8,17H,5,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyKVEPYZKOYPDPJS-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.50
Rot. Bonds4

About 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide

2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 54923051) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID54923051
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccccc1C#CCCO
InChIInChI=1S/C14H16N2O3/c1-11(18)15-10-14(19)16-13-8-3-2-6-12(13)7-4-5-9-17/h2-3,6,8,17H,5,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyKVEPYZKOYPDPJS-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[2-(4-hydroxybut-1-ynyl)phenyl]-2-propoxyacetamide
CID 107940347
2-acetamido-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 62915604
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
N-[2-(4-hydroxybut-1-ynyl)phenyl]-5-methylthiophene-2-carboxamide
CID 60803179
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3-methylthiophene-2-carboxamide
CID 60803351
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 54923051) is 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide is CC(=O)NCC(=O)Nc1ccccc1C#CCCO.
What is the InChIKey of 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is KVEPYZKOYPDPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-11(18)15-10-14(19)16-13-8-3-2-6-12(13)7-4-5-9-17/h2-3,6,8,17H,5,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide?
2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 260.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 54923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).