N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide

C26H28N2O6 — CID 2841934

IUPACN-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CNC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H28N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyMJJFKICPHQXJPE-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.58
Rot. Bonds10

About N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide

N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide (PubChem CID 2841934) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
PubChem CID2841934
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC NameN-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(CNC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC
InChIInChI=1S/C26H28N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyMJJFKICPHQXJPE-UHFFFAOYSA-N
XLogP3.58
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479176
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
3,4-dimethoxy-N-[[3-(2-pyridin-4-ylethylcarbamoyl)phenyl]methyl]benzamide
CID 44819015
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide (CID 2841934) is N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2cccc(CNC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC.
What is the InChIKey of N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is MJJFKICPHQXJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-21-10-8-19(13-23(21)33-3)25(29)27-15-17-6-5-7-18(12-17)16-28-26(30)20-9-11-22(32-2)24(14-20)34-4/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide?
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 464.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2841934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).