methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate

C22H27NO6 — CID 132763636

IUPACmethyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C22H27NO6/c1-12-8-13(2)14(3)18(9-12)29-15(4)21(24)23-17-11-20(27-6)19(26-5)10-16(17)22(25)28-7/h8-11,15H,1-7H3,(H,23,24)
InChIKeyQXCCSLKBZJLVMK-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.82
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate

methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate (PubChem CID 132763636) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
PubChem CID132763636
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Namemethyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1C
InChIInChI=1S/C22H27NO6/c1-12-8-13(2)14(3)18(9-12)29-15(4)21(24)23-17-11-20(27-6)19(26-5)10-16(17)22(25)28-7/h8-11,15H,1-7H3,(H,23,24)
InChIKeyQXCCSLKBZJLVMK-UHFFFAOYSA-N
XLogP3.82
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate 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

dimethyl 2-[[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 92683584
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 30397117
methyl 2-chloro-5-[[(2S)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzoate
CID 28578411
methyl 2-[2-(4-fluorophenoxy)propanoylamino]-4,5-dimethoxybenzoate
CID 18084077
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
N-propan-2-yl-2-[[(2R)-2-(2,3,5-trimethylphenoxy)propanoyl]amino]benzamide
CID 28580606
methyl 3-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate
CID 43885235
(2S)-N-(3-chloro-2-methylphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680538
N-(2,4-dichlorophenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 46770459
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
(2S)-N-(3-methoxyphenyl)-2-(2,3,5-trimethylphenoxy)propanamide
CID 92678107

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate (CID 132763636) is methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)Oc1cc(C)cc(C)c1C.
What is the InChIKey of methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate?
The InChIKey is QXCCSLKBZJLVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-12-8-13(2)14(3)18(9-12)29-15(4)21(24)23-17-11-20(27-6)19(26-5)10-16(17)22(25)28-7/h8-11,15H,1-7H3,(H,23,24).
What are the key properties of methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate?
methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate has a molecular weight of 401.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[2-(2,3,5-trimethylphenoxy)propanoylamino]benzoate is sourced from PubChem (CID 132763636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).