N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide

C23H21NO — CID 66634823

IUPACN-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H21NO/c1-17(24-18(2)25)15-20-10-7-19(8-11-20)9-12-21-13-14-22-5-3-4-6-23(22)16-21/h3-8,10-11,13-14,16-17H,15H2,1-2H3,(H,24,25)
InChIKeyMKNXQSGUSOCENW-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.31
Rot. Bonds3

About N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide

N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide (PubChem CID 66634823) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
PubChem CID66634823
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H21NO/c1-17(24-18(2)25)15-20-10-7-19(8-11-20)9-12-21-13-14-22-5-3-4-6-23(22)16-21/h3-8,10-11,13-14,16-17H,15H2,1-2H3,(H,24,25)
InChIKeyMKNXQSGUSOCENW-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.31
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-[1-[4-[2-[4-(methylaminomethyl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 123967910
N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66635020
methane;N-[(2S)-1-[4-[2-(6-phenoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 159102988
N-[1-[4-[2-[4-(3,3,3-trifluoropropoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429515
N-[1-[4-[2-[4-(oxetan-3-yloxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 56925028
N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66634983
3-[2-[4-(2-acetamidopropyl)phenyl]ethynyl]-N-cyclopentyl-N-methylbenzamide
CID 66635159
2-acetamido-2-methyl-N-[(2R)-1-naphthalen-2-ylpropan-2-yl]propanamide
CID 97318164
N-(1-phenylpropan-2-yl)acetamide;toluene
CID 157258470
N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635496
N-[1-[4-[2-[2-(2-methoxyethoxy)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429585
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide (CID 66634823) is N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide?
The InChIKey is MKNXQSGUSOCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17(24-18(2)25)15-20-10-7-19(8-11-20)9-12-21-13-14-22-5-3-4-6-23(22)16-21/h3-8,10-11,13-14,16-17H,15H2,1-2H3,(H,24,25).
What are the key properties of N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide?
N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-naphthalen-2-ylethynyl)phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66634823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).