2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide

C24H19NO4 — CID 141175343

IUPAC2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide
SMILESCOc1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(C(N)=O)c2ccccc12
InChIInChI=1S/C24H19NO4/c1-29-23-19-5-3-2-4-18(19)22(24(25)28)20(14-6-10-16(26)11-7-14)21(23)15-8-12-17(27)13-9-15/h2-13,26-27H,1H3,(H2,25,28)
InChIKeyJPJGQLFNOPPGKJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.69
Rot. Bonds4

About 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide

2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide (PubChem CID 141175343) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide.

Molecular Properties

Compound Name2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide
PubChem CID141175343
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide
SMILESCOc1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(C(N)=O)c2ccccc12
InChIInChI=1S/C24H19NO4/c1-29-23-19-5-3-2-4-18(19)22(24(25)28)20(14-6-10-16(26)11-7-14)21(23)15-8-12-17(27)13-9-15/h2-13,26-27H,1H3,(H2,25,28)
InChIKeyJPJGQLFNOPPGKJ-UHFFFAOYSA-N
XLogP4.69
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 68897697
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2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide
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9-(4-bromophenyl)-10-methoxyanthracene
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4-[6-amino-5-(4-hydroxyphenyl)-4-methoxy-3-pyridinyl]phenol
CID 122531757
5-acetyl-2-amino-4-phenylthiophene-3-carboxamide
CID 14362248
2-oxo-3-phenylchromene-4-carboxamide
CID 168655029
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
2,5-bis(4-hydroxyphenyl)-4-methoxybenzene-1,3-diol
CID 53262748
benzene-1,4-diol;ethyl carbamate;methoxymethane
CID 174872836

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide?
The IUPAC name of 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide (CID 141175343) is 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide.
What is the SMILES notation for 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide?
The canonical SMILES for 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide is COc1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c(C(N)=O)c2ccccc12.
What is the InChIKey of 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide?
The InChIKey is JPJGQLFNOPPGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-29-23-19-5-3-2-4-18(19)22(24(25)28)20(14-6-10-16(26)11-7-14)21(23)15-8-12-17(27)13-9-15/h2-13,26-27H,1H3,(H2,25,28).
What are the key properties of 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide?
2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-hydroxyphenyl)-4-methoxynaphthalene-1-carboxamide is sourced from PubChem (CID 141175343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).