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

C12H13NO2 — CID 60804040

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C12H13NO2/c1-10(15)13-12-7-5-11(6-8-12)4-2-3-9-14/h5-8,14H,3,9H2,1H3,(H,13,15)
InChIKeyQROXKFZHTYIIKV-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds2

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

N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide (PubChem CID 60804040) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
PubChem CID60804040
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C12H13NO2/c1-10(15)13-12-7-5-11(6-8-12)4-2-3-9-14/h5-8,14H,3,9H2,1H3,(H,13,15)
InChIKeyQROXKFZHTYIIKV-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
[4-(5-hydroxypent-1-ynyl)phenyl]carbamic acid
CID 22678091
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[4-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 54922638
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181295
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
CID 54922388
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209883

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide (CID 60804040) is N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide is CC(=O)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
The InChIKey is QROXKFZHTYIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10(15)13-12-7-5-11(6-8-12)4-2-3-9-14/h5-8,14H,3,9H2,1H3,(H,13,15).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide has a molecular weight of 203.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide is sourced from PubChem (CID 60804040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).