2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide

C21H20N2O3 — CID 25256226

IUPAC2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
SMILESCc1cc(C)cc(CN(O)C(=O)c2ccc3cc(C(N)=O)ccc3c2)c1
InChIInChI=1S/C21H20N2O3/c1-13-7-14(2)9-15(8-13)12-23(26)21(25)19-6-4-16-10-18(20(22)24)5-3-17(16)11-19/h3-11,26H,12H2,1-2H3,(H2,22,24)
InChIKeyQQSKLCNUXAIDBF-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.59
Rot. Bonds4

About 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide

2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide (PubChem CID 25256226) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
PubChem CID25256226
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
SMILESCc1cc(C)cc(CN(O)C(=O)c2ccc3cc(C(N)=O)ccc3c2)c1
InChIInChI=1S/C21H20N2O3/c1-13-7-14(2)9-15(8-13)12-23(26)21(25)19-6-4-16-10-18(20(22)24)5-3-17(16)11-19/h3-11,26H,12H2,1-2H3,(H2,22,24)
InChIKeyQQSKLCNUXAIDBF-UHFFFAOYSA-N
XLogP3.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(3,5-difluorophenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 87529553
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide
CID 87529599
3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 87467946
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
tetracene-2-carboxamide;hydrobromide
CID 22400124
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
CID 142645139
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
4-[4-[cyclopropyl-[(3-methylphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 86891469
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide (CID 25256226) is 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide is Cc1cc(C)cc(CN(O)C(=O)c2ccc3cc(C(N)=O)ccc3c2)c1.
What is the InChIKey of 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The InChIKey is QQSKLCNUXAIDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-7-14(2)9-15(8-13)12-23(26)21(25)19-6-4-16-10-18(20(22)24)5-3-17(16)11-19/h3-11,26H,12H2,1-2H3,(H2,22,24).
What are the key properties of 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide?
2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide is sourced from PubChem (CID 25256226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).