N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide

C24H21NO3 — CID 90549519

IUPACN-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H21NO3/c1-3-28-22-15-14-20-8-4-5-9-21(20)23(22)24(27)25-16-6-7-18-10-12-19(13-11-18)17(2)26/h4-5,8-15H,3,16H2,1-2H3,(H,25,27)
InChIKeySQPOWYYCULBTDR-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.22
Rot. Bonds5

About N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide

N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 90549519) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID90549519
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC NameN-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(C(C)=O)cc1
InChIInChI=1S/C24H21NO3/c1-3-28-22-15-14-20-8-4-5-9-21(20)23(22)24(27)25-16-6-7-18-10-12-19(13-11-18)17(2)26/h4-5,8-15H,3,16H2,1-2H3,(H,25,27)
InChIKeySQPOWYYCULBTDR-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90551875
N-[3-(4-acetylphenyl)prop-2-ynyl]-3,4-diethoxybenzamide
CID 90549485
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
CID 90549244
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
CID 90578907
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-chlorobenzamide
CID 90549491
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90576179
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide (CID 90549519) is N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccc(C(C)=O)cc1.
What is the InChIKey of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is SQPOWYYCULBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-3-28-22-15-14-20-8-4-5-9-21(20)23(22)24(27)25-16-6-7-18-10-12-19(13-11-18)17(2)26/h4-5,8-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide?
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 90549519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).