N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide

C22H22N2O3 — CID 112981913

IUPACN-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-9-6-10-20(27-2)21(19)22(25)24-18-13-11-17(12-14-18)23-15-16-7-4-3-5-8-16/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyWLWKYPUWFDXTEH-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.57
Rot. Bonds7

About N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide

N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide (PubChem CID 112981913) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
PubChem CID112981913
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-19-9-6-10-20(27-2)21(19)22(25)24-18-13-11-17(12-14-18)23-15-16-7-4-3-5-8-16/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyWLWKYPUWFDXTEH-UHFFFAOYSA-N
XLogP4.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
CID 139887374
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
CID 139887384
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
[4-(benzylamino)phenyl]urea
CID 43744943

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide (CID 112981913) is N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is WLWKYPUWFDXTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-19-9-6-10-20(27-2)21(19)22(25)24-18-13-11-17(12-14-18)23-15-16-7-4-3-5-8-16/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide?
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 112981913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).