N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide

C23H24N2O3 — CID 174867526

IUPACN-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-15-12-17(13-16(2)22(15)26)14-24-19-9-5-6-10-20(19)25-23(27)18-8-4-7-11-21(18)28-3/h4-13,24,26H,14H2,1-3H3,(H,25,27)
InChIKeyLJCSCQDSIWZUKC-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.88
Rot. Bonds6

About N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide

N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide (PubChem CID 174867526) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
PubChem CID174867526
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C23H24N2O3/c1-15-12-17(13-16(2)22(15)26)14-24-19-9-5-6-10-20(19)25-23(27)18-8-4-7-11-21(18)28-3/h4-13,24,26H,14H2,1-3H3,(H,25,27)
InChIKeyLJCSCQDSIWZUKC-UHFFFAOYSA-N
XLogP4.88
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
methyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoate
CID 43139457
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-methoxy-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide
CID 3419820
N-(4-amino-2,5-dimethylphenyl)-2-methoxybenzamide
CID 103144625
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
methyl 4-[(2-methoxybenzoyl)amino]-3-methylbenzoate
CID 36928114
2-methoxy-N-(2-prop-1-en-2-ylphenyl)benzamide
CID 175134678
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide (CID 174867526) is N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccccc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide?
The InChIKey is LJCSCQDSIWZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-12-17(13-16(2)22(15)26)14-24-19-9-5-6-10-20(19)25-23(27)18-8-4-7-11-21(18)28-3/h4-13,24,26H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide?
N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 174867526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).