N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide

C18H17NO2 — CID 111825050

IUPACN-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
SMILESCC(O)(CNC(=O)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-18(21,16-10-6-3-7-11-16)14-19-17(20)13-12-15-8-4-2-5-9-15/h2-11,21H,14H2,1H3,(H,19,20)
InChIKeyITNMSSGHOQOFLT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds3

About N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide

N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide (PubChem CID 111825050) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
PubChem CID111825050
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide
SMILESCC(O)(CNC(=O)C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c1-18(21,16-10-6-3-7-11-16)14-19-17(20)13-12-15-8-4-2-5-9-15/h2-11,21H,14H2,1H3,(H,19,20)
InChIKeyITNMSSGHOQOFLT-UHFFFAOYSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
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

methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
(2R)-N-[(2R)-2-hydroxy-2-phenylpropyl]-2-methylsulfanylpropanamide
CID 95769505
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-butyl-3-phenylprop-2-ynamide
CID 141247412
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
2-[(2-hydroxy-2-phenylpropyl)amino]-2-methylbutanoic acid
CID 79789645
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
N-[(E)-but-2-enyl]-3-phenylprop-2-ynamide
CID 11805711
N-(2-hydroxy-2-phenylpropyl)-2,3-dimethylpentanamide
CID 110021066

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide (CID 111825050) is N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide is CC(O)(CNC(=O)C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide?
The InChIKey is ITNMSSGHOQOFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-18(21,16-10-6-3-7-11-16)14-19-17(20)13-12-15-8-4-2-5-9-15/h2-11,21H,14H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide?
N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide has a molecular weight of 279.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 111825050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).