2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide

C23H21NO3 — CID 90549244

IUPAC2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccccc1OC
InChIInChI=1S/C23H21NO3/c1-3-27-21-15-14-17-9-4-6-12-19(17)22(21)23(25)24-16-8-11-18-10-5-7-13-20(18)26-2/h4-7,9-10,12-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyWYTWLWAEAAEODQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.03
Rot. Bonds5

About 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide

2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide (PubChem CID 90549244) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
PubChem CID90549244
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccccc1OC
InChIInChI=1S/C23H21NO3/c1-3-27-21-15-14-17-9-4-6-12-19(17)22(21)23(25)24-16-8-11-18-10-5-7-13-20(18)26-2/h4-7,9-10,12-15H,3,16H2,1-2H3,(H,24,25)
InChIKeyWYTWLWAEAAEODQ-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.03
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-acetylphenyl)prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90549519
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90551875
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-2-ethoxynaphthalene-1-carboxamide
CID 90550070
3,4-dimethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549206
2-ethoxy-N-(4-pyridin-3-yloxybut-2-ynyl)naphthalene-1-carboxamide
CID 90578907
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
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
3-methoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549199
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
3,4-difluoro-N-[3-(2-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549224

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide (CID 90549244) is 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCC#Cc1ccccc1OC.
What is the InChIKey of 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide?
The InChIKey is WYTWLWAEAAEODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-3-27-21-15-14-17-9-4-6-12-19(17)22(21)23(25)24-16-8-11-18-10-5-7-13-20(18)26-2/h4-7,9-10,12-15H,3,16H2,1-2H3,(H,24,25).
What are the key properties of 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide?
2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(2-methoxyphenyl)prop-2-ynyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90549244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).