N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide

C13H15NO2 — CID 60803467

IUPACN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C13H15NO2/c1-3-13(16)14-12-7-6-11(5-4-8-15)10(2)9-12/h6-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyHEEGERKYFGIDLK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.69
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide (PubChem CID 60803467) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
PubChem CID60803467
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C#CCO)c(C)c1
InChIInChI=1S/C13H15NO2/c1-3-13(16)14-12-7-6-11(5-4-8-15)10(2)9-12/h6-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyHEEGERKYFGIDLK-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.69
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-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
CID 60803087
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
CID 60804519
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805059
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-3-methoxypropanamide
CID 62590421
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methoxythiophene-2-carboxamide
CID 81121633
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide (CID 60803467) is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(C#CCO)c(C)c1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide?
The InChIKey is HEEGERKYFGIDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-13(16)14-12-7-6-11(5-4-8-15)10(2)9-12/h6-7,9,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide?
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide has a molecular weight of 217.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide is sourced from PubChem (CID 60803467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).