N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide

C22H22N2O4 — CID 2903122

IUPACN-(4-anilinophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-13-15(14-20(27-2)21(19)28-3)22(25)24-18-11-9-17(10-12-18)23-16-7-5-4-6-8-16/h4-14,23H,1-3H3,(H,24,25)
InChIKeyWWBIVDAPTKYFBS-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.71
Rot. Bonds7

About N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide

N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide (PubChem CID 2903122) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3,4,5-trimethoxybenzamide
PubChem CID2903122
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(4-anilinophenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-13-15(14-20(27-2)21(19)28-3)22(25)24-18-11-9-17(10-12-18)23-16-7-5-4-6-8-16/h4-14,23H,1-3H3,(H,24,25)
InChIKeyWWBIVDAPTKYFBS-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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Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide (CID 2903122) is N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is WWBIVDAPTKYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-13-15(14-20(27-2)21(19)28-3)22(25)24-18-11-9-17(10-12-18)23-16-7-5-4-6-8-16/h4-14,23H,1-3H3,(H,24,25).
What are the key properties of N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide?
N-(4-anilinophenyl)-3,4,5-trimethoxybenzamide 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-anilinophenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2903122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).