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

C17H15NO2 — CID 60803624

IUPACN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(C#CCO)c1
InChIInChI=1S/C17H15NO2/c19-11-5-9-14-8-4-10-16(12-14)18-17(20)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,19H,11,13H2,(H,18,20)
InChIKeyWBXZUFBDYLCTTH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds3

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

N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide (PubChem CID 60803624) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
PubChem CID60803624
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(C#CCO)c1
InChIInChI=1S/C17H15NO2/c19-11-5-9-14-8-4-10-16(12-14)18-17(20)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,19H,11,13H2,(H,18,20)
InChIKeyWBXZUFBDYLCTTH-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
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-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60802437
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60802431
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-propan-2-ylurea
CID 60804841
N-[3-(4-hydroxybut-1-ynyl)phenyl]-2-thiophen-3-ylacetamide
CID 60803359
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
4-chloro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803971
3,5-difluoro-N-[3-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 60803799
4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
N-(3-ethynylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019222

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide (CID 60803624) is N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(C#CCO)c1.
What is the InChIKey of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide?
The InChIKey is WBXZUFBDYLCTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-11-5-9-14-8-4-10-16(12-14)18-17(20)13-15-6-2-1-3-7-15/h1-4,6-8,10,12,19H,11,13H2,(H,18,20).
What are the key properties of N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide?
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide has a molecular weight of 265.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 60803624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).