1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide

C38H46N4O4 — CID 141004393

IUPAC1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide
SMILES[H]/N=C(C(=N/[H])\N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C)/N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C38H46N4O4/c1-21-13-29(43-9)14-22(2)33(21)41(34-23(3)15-30(44-10)16-24(34)4)37(39)38(40)42(35-25(5)17-31(45-11)18-26(35)6)36-27(7)19-32(46-12)20-28(36)8/h13-20,39-40H,1-12H3/b39-37+,40-38+
InChIKeyZLYNBTGBCPROPX-HVMBLDELSA-N
MW622.81 g/mol
LogP9.12
Rot. Bonds8

About 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide

1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide (PubChem CID 141004393) has the molecular formula C38H46N4O4 and a molecular weight of 622.81 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide
PubChem CID141004393
Molecular FormulaC38H46N4O4
Molecular Weight622.81 g/mol
Exact Mass622.35
IUPAC Name1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide
SMILES[H]/N=C(C(=N/[H])\N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C)/N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C38H46N4O4/c1-21-13-29(43-9)14-22(2)33(21)41(34-23(3)15-30(44-10)16-24(34)4)37(39)38(40)42(35-25(5)17-31(45-11)18-26(35)6)36-27(7)19-32(46-12)20-28(36)8/h13-20,39-40H,1-12H3/b39-37+,40-38+
InChIKeyZLYNBTGBCPROPX-HVMBLDELSA-N
XLogP9.12
TPSA91.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide 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

(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
4-(4-methoxy-2,6-dimethylphenyl)butanenitrile
CID 83940113
bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
5-methoxy-3-methyl-2-propan-2-ylphenol
CID 90394378
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
2-but-3-ynyl-5-methoxy-1,3-dimethylbenzene
CID 83940116
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide (CID 141004393) is 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide is [H]/N=C(C(=N/[H])\N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C)/N(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide?
The InChIKey is ZLYNBTGBCPROPX-HVMBLDELSA-N. The full InChI is InChI=1S/C38H46N4O4/c1-21-13-29(43-9)14-22(2)33(21)41(34-23(3)15-30(44-10)16-24(34)4)37(39)38(40)42(35-25(5)17-31(45-11)18-26(35)6)36-27(7)19-32(46-12)20-28(36)8/h13-20,39-40H,1-12H3/b39-37+,40-38+.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide?
1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide has a molecular weight of 622.81 g/mol, XLogP of 9.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide is sourced from PubChem (CID 141004393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).