methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate

C23H29NO5 — CID 2827389

IUPACmethyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-14(2)11-16-7-9-17(10-8-16)15(3)22(25)24-19-13-21(28-5)20(27-4)12-18(19)23(26)29-6/h7-10,12-15H,11H2,1-6H3,(H,24,25)
InChIKeyALBCOBISQRFVPI-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.43
Rot. Bonds8

About methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate

methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate (PubChem CID 2827389) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
PubChem CID2827389
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namemethyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H29NO5/c1-14(2)11-16-7-9-17(10-8-16)15(3)22(25)24-19-13-21(28-5)20(27-4)12-18(19)23(26)29-6/h7-10,12-15H,11H2,1-6H3,(H,24,25)
InChIKeyALBCOBISQRFVPI-UHFFFAOYSA-N
XLogP4.43
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4,5-dimethoxy-2-[[(2S)-2-(4-nitrophenyl)propanoyl]amino]benzoate
CID 1313519
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782184
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
3,4-dimethoxy-N'-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzohydrazide
CID 54782152
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 21262997
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate (CID 2827389) is methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
The InChIKey is ALBCOBISQRFVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-14(2)11-16-7-9-17(10-8-16)15(3)22(25)24-19-13-21(28-5)20(27-4)12-18(19)23(26)29-6/h7-10,12-15H,11H2,1-6H3,(H,24,25).
What are the key properties of methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate?
methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate has a molecular weight of 399.49 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate is sourced from PubChem (CID 2827389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).