ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide

C21H23NO3 — CID 143289888

IUPACethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC.CCOc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H17NO3.C2H6/c1-2-23-15-10-8-14(9-11-15)20-19(22)17-12-7-13-5-3-4-6-16(13)18(17)21;1-2/h3-12,21H,2H2,1H3,(H,20,22);1-2H3
InChIKeyACQLWJQLKFDTOM-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.22
Rot. Bonds4

About ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide

ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide (PubChem CID 143289888) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Nameethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
PubChem CID143289888
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Nameethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
SMILESCC.CCOc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H17NO3.C2H6/c1-2-23-15-10-8-14(9-11-15)20-19(22)17-12-7-13-5-3-4-6-16(13)18(17)21;1-2/h3-12,21H,2H2,1H3,(H,20,22);1-2H3
InChIKeyACQLWJQLKFDTOM-UHFFFAOYSA-N
XLogP5.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
1-(4-ethoxyphenyl)-3-[1-(1-hydroxynaphthalen-2-yl)ethenylamino]thiourea
CID 2382530
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
1-(4-ethoxyphenyl)-3-[(2-hydroxynaphthalene-1-carbonyl)amino]urea
CID 59321650
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290

Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide (CID 143289888) is ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide is CC.CCOc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is ACQLWJQLKFDTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3.C2H6/c1-2-23-15-10-8-14(9-11-15)20-19(22)17-12-7-13-5-3-4-6-16(13)18(17)21;1-2/h3-12,21H,2H2,1H3,(H,20,22);1-2H3.
What are the key properties of ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide?
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 143289888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).