N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide

C20H26N2O7 — CID 110182047

IUPACN-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2N)cc(OC)c1OC
InChIInChI=1S/C20H26N2O7/c1-24-13-7-11(8-14(25-2)17(13)27-4)20(23)22-10-12-9-15(26-3)18(28-5)19(29-6)16(12)21/h7-9H,10,21H2,1-6H3,(H,22,23)
InChIKeyBRBRYWOLRVVLKS-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.25
Rot. Bonds9

About N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide

N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 110182047) has the molecular formula C20H26N2O7 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID110182047
Molecular FormulaC20H26N2O7
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC NameN-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2N)cc(OC)c1OC
InChIInChI=1S/C20H26N2O7/c1-24-13-7-11(8-14(25-2)17(13)27-4)20(23)22-10-12-9-15(26-3)18(28-5)19(29-6)16(12)21/h7-9H,10,21H2,1-6H3,(H,22,23)
InChIKeyBRBRYWOLRVVLKS-UHFFFAOYSA-N
XLogP2.25
TPSA110.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
3-chloro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713221
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
CID 114383408
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-3,4,5-trimethoxybenzamide
CID 54785802
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide (CID 110182047) is N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2cc(OC)c(OC)c(OC)c2N)cc(OC)c1OC.
What is the InChIKey of N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is BRBRYWOLRVVLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7/c1-24-13-7-11(8-14(25-2)17(13)27-4)20(23)22-10-12-9-15(26-3)18(28-5)19(29-6)16(12)21/h7-9H,10,21H2,1-6H3,(H,22,23).
What are the key properties of N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide?
N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 406.44 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,4,5-trimethoxyphenyl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110182047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).