2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide

C19H17NO2 — CID 18505293

IUPAC2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2c(C)ccc3c(C(N)=O)c(O)ccc23)cc1
InChIInChI=1S/C19H17NO2/c1-11-3-6-13(7-4-11)17-12(2)5-8-15-14(17)9-10-16(21)18(15)19(20)22/h3-10,21H,1-2H3,(H2,20,22)
InChIKeyHMCOJFBISWMTFQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.93
Rot. Bonds2

About 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide

2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 18505293) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide
PubChem CID18505293
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(-c2c(C)ccc3c(C(N)=O)c(O)ccc23)cc1
InChIInChI=1S/C19H17NO2/c1-11-3-6-13(7-4-11)17-12(2)5-8-15-14(17)9-10-16(21)18(15)19(20)22/h3-10,21H,1-2H3,(H2,20,22)
InChIKeyHMCOJFBISWMTFQ-UHFFFAOYSA-N
XLogP3.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide (CID 18505293) is 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(-c2c(C)ccc3c(C(N)=O)c(O)ccc23)cc1.
What is the InChIKey of 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is HMCOJFBISWMTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-11-3-6-13(7-4-11)17-12(2)5-8-15-14(17)9-10-16(21)18(15)19(20)22/h3-10,21H,1-2H3,(H2,20,22).
What are the key properties of 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide?
2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methyl-5-(4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 18505293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).