(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide

C34H51N3O9 — CID 15851481

IUPAC(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
SMILESCNC(=O)[C@@H](NC(=O)C(CC(=O)N(Cc1c(OC)cc(OC)cc1OC)OCc1ccc(OC)cc1OC)CC(C)C)C(C)(C)C
InChIInChI=1S/C34H51N3O9/c1-21(2)14-23(32(39)36-31(33(40)35-6)34(3,4)5)15-30(38)37(46-20-22-12-13-24(41-7)16-27(22)43-9)19-26-28(44-10)17-25(42-8)18-29(26)45-11/h12-13,16-18,21,23,31H,14-15,19-20H2,1-11H3,(H,35,40)(H,36,39)/t23?,31-/m1/s1
InChIKeyMIRPBVMYMQWEDR-ORLYWQOISA-N
MW645.79 g/mol
LogP4.52
Rot. Bonds17

About (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide

(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide (PubChem CID 15851481) has the molecular formula C34H51N3O9 and a molecular weight of 645.79 g/mol. Its IUPAC name is (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide.

Molecular Properties

Compound Name(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
PubChem CID15851481
Molecular FormulaC34H51N3O9
Molecular Weight645.79 g/mol
Exact Mass645.36
IUPAC Name(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
SMILESCNC(=O)[C@@H](NC(=O)C(CC(=O)N(Cc1c(OC)cc(OC)cc1OC)OCc1ccc(OC)cc1OC)CC(C)C)C(C)(C)C
InChIInChI=1S/C34H51N3O9/c1-21(2)14-23(32(39)36-31(33(40)35-6)34(3,4)5)15-30(38)37(46-20-22-12-13-24(41-7)16-27(22)43-9)19-26-28(44-10)17-25(42-8)18-29(26)45-11/h12-13,16-18,21,23,31H,14-15,19-20H2,1-11H3,(H,35,40)(H,36,39)/t23?,31-/m1/s1
InChIKeyMIRPBVMYMQWEDR-ORLYWQOISA-N
XLogP4.52
TPSA133.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.79
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide 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

N-[(2,4-dimethoxyphenyl)methoxy]-3-[methyl-(4-phenoxyphenyl)sulfamoyl]-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide
CID 102507235
(3R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-(4-methoxyphenoxy)hexanoic acid
CID 18395273
2-[(2,5-dimethoxyphenyl)methylamino]-N,4-dimethylpentanamide
CID 43750741
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
(2S,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)butanediamide
CID 135665111
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
[2-[(2-hydroxy-4-methoxyphenyl)methyl]-5-methoxyphenyl] methyl carbonate
CID 11782110
(3R)-3-[[1-(benzylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid
CID 10523588
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
benzyl (2R)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-propylhexanoate
CID 67913095
2,2-dichloro-N-[(2,4-dimethoxyphenyl)methyl]-N-[(Z)-5-methylhex-2-en-3-yl]acetamide
CID 101258326
N-(4-tert-butylphenyl)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9101281

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide?
The IUPAC name of (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide (CID 15851481) is (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide.
What is the SMILES notation for (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide?
The canonical SMILES for (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide is CNC(=O)[C@@H](NC(=O)C(CC(=O)N(Cc1c(OC)cc(OC)cc1OC)OCc1ccc(OC)cc1OC)CC(C)C)C(C)(C)C.
What is the InChIKey of (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide?
The InChIKey is MIRPBVMYMQWEDR-ORLYWQOISA-N. The full InChI is InChI=1S/C34H51N3O9/c1-21(2)14-23(32(39)36-31(33(40)35-6)34(3,4)5)15-30(38)37(46-20-22-12-13-24(41-7)16-27(22)43-9)19-26-28(44-10)17-25(42-8)18-29(26)45-11/h12-13,16-18,21,23,31H,14-15,19-20H2,1-11H3,(H,35,40)(H,36,39)/t23?,31-/m1/s1.
What are the key properties of (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide?
(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide has a molecular weight of 645.79 g/mol, XLogP of 4.52, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide is sourced from PubChem (CID 15851481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).