N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

C20H21NO3 — CID 110677744

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)c3ccccc3C2)cc1
InChIInChI=1S/C20H21NO3/c1-24-17-8-6-14(7-9-17)10-11-21-20(23)16-12-15-4-2-3-5-18(15)19(22)13-16/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyJQIXWJMFYTVLLD-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 110677744) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID110677744
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC(=O)c3ccccc3C2)cc1
InChIInChI=1S/C20H21NO3/c1-24-17-8-6-14(7-9-17)10-11-21-20(23)16-12-15-4-2-3-5-18(15)19(22)13-16/h2-9,16H,10-13H2,1H3,(H,21,23)
InChIKeyJQIXWJMFYTVLLD-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
trans-(1R,2R)-N-[2-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 896868
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149171
N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183174
(3R)-N-[2-(3-methoxyphenyl)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 102260246
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
1-butyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182004
(3R,9bS)-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7092993
3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186176

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 110677744) is N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is COc1ccc(CCNC(=O)C2CC(=O)c3ccccc3C2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is JQIXWJMFYTVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-17-8-6-14(7-9-17)10-11-21-20(23)16-12-15-4-2-3-5-18(15)19(22)13-16/h2-9,16H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 110677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).