6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide

C27H24N2O4 — CID 54190317

IUPAC6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)c1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C27H24N2O4/c1-16-6-4-5-7-22(16)28-27(32)20-9-12-23(25(15-20)33-3)29-26(31)19-8-11-21-17(2)24(30)13-10-18(21)14-19/h4-15,30H,1-3H3,(H,28,32)(H,29,31)
InChIKeyVFHODLBFCCJKLX-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.68
Rot. Bonds5

About 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide

6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide (PubChem CID 54190317) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide
PubChem CID54190317
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)c1ccc2c(C)c(O)ccc2c1
InChIInChI=1S/C27H24N2O4/c1-16-6-4-5-7-22(16)28-27(32)20-9-12-23(25(15-20)33-3)29-26(31)19-8-11-21-17(2)24(30)13-10-18(21)14-19/h4-15,30H,1-3H3,(H,28,32)(H,29,31)
InChIKeyVFHODLBFCCJKLX-UHFFFAOYSA-N
XLogP5.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
3,4-dihydroxy-N-(2-methylphenyl)benzamide
CID 57150208
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-chloro-4-hydroxy-N-(2-methylphenyl)benzamide
CID 18104256
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
3,4-dimethoxy-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 881520
6,7-dimethoxy-N-(2-methylphenyl)-4-(4-methylphenyl)naphthalene-2-carboxamide
CID 21209585
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide (CID 54190317) is 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide is COc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)c1ccc2c(C)c(O)ccc2c1.
What is the InChIKey of 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide?
The InChIKey is VFHODLBFCCJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-16-6-4-5-7-22(16)28-27(32)20-9-12-23(25(15-20)33-3)29-26(31)19-8-11-21-17(2)24(30)13-10-18(21)14-19/h4-15,30H,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide?
6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[2-methoxy-4-[(2-methylphenyl)carbamoyl]phenyl]-5-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 54190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).