N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide

C21H20N2O3 — CID 17439182

IUPACN-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1
InChIInChI=1S/C21H20N2O3/c1-3-22-20(24)16-9-6-10-17(11-16)23-21(25)18-12-14-7-4-5-8-15(14)13-19(18)26-2/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPDEMOTVSEQGYDO-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide

N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide (PubChem CID 17439182) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
PubChem CID17439182
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
SMILESCCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1
InChIInChI=1S/C21H20N2O3/c1-3-22-20(24)16-9-6-10-17(11-16)23-21(25)18-12-14-7-4-5-8-15(14)13-19(18)26-2/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPDEMOTVSEQGYDO-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
2-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17230631
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
2,4,5-trimethoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17403518
methyl 4-[[3-(ethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17230817
3-acetamido-N-ethylbenzamide
CID 17230670
5-bromo-N-[[3-(ethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17230990
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
3,5-dichloro-N-[3-(ethylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51217682
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide (CID 17439182) is N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide is CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1.
What is the InChIKey of N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is PDEMOTVSEQGYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-22-20(24)16-9-6-10-17(11-16)23-21(25)18-12-14-7-4-5-8-15(14)13-19(18)26-2/h4-13H,3H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide?
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 17439182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).