N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide

C21H21NO2 — CID 801526

IUPACN-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C21H21NO2/c1-4-15-11-7-8-14(2)20(15)22-21(23)18-12-16-9-5-6-10-17(16)13-19(18)24-3/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyPWQJVZHLFPSDKX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.97
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide

N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 801526) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID801526
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C21H21NO2/c1-4-15-11-7-8-14(2)20(15)22-21(23)18-12-16-9-5-6-10-17(16)13-19(18)24-3/h5-13H,4H2,1-3H3,(H,22,23)
InChIKeyPWQJVZHLFPSDKX-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 2965571
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethyl-6-methylphenyl)-2-[ethyl(methylsulfonyl)amino]-4,5-dimethoxybenzamide
CID 30148952
2-(2,5-dimethoxyphenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7992499
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 802722
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide (CID 801526) is N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cc2ccccc2cc1OC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is PWQJVZHLFPSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-4-15-11-7-8-14(2)20(15)22-21(23)18-12-16-9-5-6-10-17(16)13-19(18)24-3/h5-13H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).