3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide

C19H17NO2 — CID 22590781

IUPAC3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H17NO2/c1-13-7-9-16(10-8-13)20(2)19(22)17-11-14-5-3-4-6-15(14)12-18(17)21/h3-12,21H,1-2H3
InChIKeyKALHAJLPGAIINF-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.13
Rot. Bonds2

About 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide

3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide (PubChem CID 22590781) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
PubChem CID22590781
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cc3ccccc3cc2O)cc1
InChIInChI=1S/C19H17NO2/c1-13-7-9-16(10-8-13)20(2)19(22)17-11-14-5-3-4-6-15(14)12-18(17)21/h3-12,21H,1-2H3
InChIKeyKALHAJLPGAIINF-UHFFFAOYSA-N
XLogP4.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039
N-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
CID 3742330
N-(4-carbamothioylphenyl)-2-hydroxy-N,4-dimethylbenzamide
CID 62969444
5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
CID 102705474
5-bromo-2-hydroxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107729726
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
N,6-dimethyl-N-(4-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103716728

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide (CID 22590781) is 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide is Cc1ccc(N(C)C(=O)c2cc3ccccc3cc2O)cc1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is KALHAJLPGAIINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-7-9-16(10-8-13)20(2)19(22)17-11-14-5-3-4-6-15(14)12-18(17)21/h3-12,21H,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide?
3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 22590781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).