N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide

C12H13NO2 — CID 60800142

IUPACN-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,14H,2,9H2,1H3,(H,13,15)
InChIKeyRUZAOUMQGSSOHF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.38
Rot. Bonds2

About N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide

N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide (PubChem CID 60800142) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
PubChem CID60800142
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1C#CCO
InChIInChI=1S/C12H13NO2/c1-2-12(15)13-11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,14H,2,9H2,1H3,(H,13,15)
InChIKeyRUZAOUMQGSSOHF-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-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
[2-(3-hydroxyprop-1-ynyl)phenyl]urea
CID 60803594
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475991
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
2-(3-chlorophenyl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 62504278
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
4-hydroxy-N-[2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60802926
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60802220
N-[2-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 54922386
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-4-methoxybenzamide
CID 60802229
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The IUPAC name of N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide (CID 60800142) is N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The canonical SMILES for N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide is CCC(=O)Nc1ccccc1C#CCO.
What is the InChIKey of N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The InChIKey is RUZAOUMQGSSOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-12(15)13-11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,14H,2,9H2,1H3,(H,13,15).
What are the key properties of N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide 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-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide is sourced from PubChem (CID 60800142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).