N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide

C26H28N2O3 — CID 7893620

IUPACN-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C26H28N2O3/c1-18-11-13-28(14-12-18)25(29)17-31-24-16-21-9-5-4-8-20(21)15-22(24)26(30)27-23-10-6-3-7-19(23)2/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyFNQXSTJYNOUWAQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.04
Rot. Bonds5

About N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide

N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide (PubChem CID 7893620) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide
PubChem CID7893620
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C26H28N2O3/c1-18-11-13-28(14-12-18)25(29)17-31-24-16-21-9-5-4-8-20(21)15-22(24)26(30)27-23-10-6-3-7-19(23)2/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30)
InChIKeyFNQXSTJYNOUWAQ-UHFFFAOYSA-N
XLogP5.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 7893632
N-(2-methylphenyl)-3-[2-oxo-2-(propylamino)ethoxy]naphthalene-2-carboxamide
CID 7893630
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-(2-methylphenyl)-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]naphthalene-2-carboxamide
CID 52891651
2-Anthracenecarboxamide, N-(2-methylphenyl)-3-(phosphonooxy)-, sodium salt (1:2)
CID 131864598
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893615
N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
CID 17453522
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
1-(4-methylpiperidin-1-yl)-2-quinolin-6-yloxyethanone
CID 112978586
2-[2-iodo-6-methoxy-4-(4-methylpiperidine-1-carbothioyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126269116

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide (CID 7893620) is N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide is Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCC(C)CC1.
What is the InChIKey of N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
The InChIKey is FNQXSTJYNOUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18-11-13-28(14-12-18)25(29)17-31-24-16-21-9-5-4-8-20(21)15-22(24)26(30)27-23-10-6-3-7-19(23)2/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,30).
What are the key properties of N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide?
N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 7893620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).