N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide

C22H22N2O4 — CID 112987995

IUPACN-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-19-11-4-15(5-12-19)22(25)24-17-8-6-16(7-9-17)23-18-10-13-20(27-2)21(14-18)28-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyZGHOQILKMNXXCM-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.71
Rot. Bonds7

About N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide

N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide (PubChem CID 112987995) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
PubChem CID112987995
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C22H22N2O4/c1-26-19-11-4-15(5-12-19)22(25)24-17-8-6-16(7-9-17)23-18-10-13-20(27-2)21(14-18)28-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyZGHOQILKMNXXCM-UHFFFAOYSA-N
XLogP4.71
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3,4-dimethoxybenzoate
CID 19181553
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide (CID 112987995) is N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide?
The InChIKey is ZGHOQILKMNXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-11-4-15(5-12-19)22(25)24-17-8-6-16(7-9-17)23-18-10-13-20(27-2)21(14-18)28-3/h4-14,23H,1-3H3,(H,24,25).
What are the key properties of N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide?
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112987995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).