N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide

C23H21NO — CID 11290358

IUPACN-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C23H21NO/c25-23(18-16-20-11-5-2-6-12-20)24-22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h2,5-8,11-14,19H,1,3-4,9-10H2,(H,24,25)
InChIKeyLXQZQSVABXNQQH-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.61
Rot. Bonds1

About N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide

N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide (PubChem CID 11290358) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide
PubChem CID11290358
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1ccccc1C#CC1CCCCC1
InChIInChI=1S/C23H21NO/c25-23(18-16-20-11-5-2-6-12-20)24-22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h2,5-8,11-14,19H,1,3-4,9-10H2,(H,24,25)
InChIKeyLXQZQSVABXNQQH-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
2-phenylethynylcyclooctane
CID 71426639
2-(2-cyclohexylethynyl)phenol
CID 57038623
methyl 2-(2-cyclohexylethynyl)benzoate
CID 50900175
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
methyl 2-(3-phenylprop-2-ynoylamino)benzoate
CID 6467561
N-[4-(2-cyclohexylethynyl)phenyl]-3,4-bis[[4-(2-phenylethynyl)phenyl]carbamoylamino]benzamide
CID 59572146
[2-(2-cyclohexylethynyl)phenyl] acetate
CID 57017537
1-(2-cyclohexylethynyl)-2-methylbenzene
CID 154717619
3-(2-cyclohexylethynyl)benzoic acid
CID 140982933
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide?
The IUPAC name of N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide (CID 11290358) is N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide.
What is the SMILES notation for N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide?
The canonical SMILES for N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide is O=C(C#Cc1ccccc1)Nc1ccccc1C#CC1CCCCC1.
What is the InChIKey of N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide?
The InChIKey is LXQZQSVABXNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(18-16-20-11-5-2-6-12-20)24-22-14-8-7-13-21(22)17-15-19-9-3-1-4-10-19/h2,5-8,11-14,19H,1,3-4,9-10H2,(H,24,25).
What are the key properties of N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide?
N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide has a molecular weight of 327.43 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide is sourced from PubChem (CID 11290358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).