(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

C25H35N7O12 — CID 166726717

IUPAC(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCOc1ccc(COC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CO)c(OC)c1
InChIInChI=1S/C25H35N7O12/c1-42-16-4-3-15(17(5-16)43-2)14-44-25(41)12-32-23(39)10-30-21(37)8-28-19(35)6-26-18(34)7-27-20(36)9-29-22(38)11-31-24(40)13-33/h3-5,33H,6-14H2,1-2H3,(H,26,34)(H,27,36)(H,28,35)(H,29,38)(H,30,37)(H,31,40)(H,32,39)
InChIKeyVQEYBBLDLVDVBN-UHFFFAOYSA-N
MW625.59 g/mol
LogP-5.45
Rot. Bonds19

About (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate

(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 166726717) has the molecular formula C25H35N7O12 and a molecular weight of 625.59 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
PubChem CID166726717
Molecular FormulaC25H35N7O12
Molecular Weight625.59 g/mol
Exact Mass625.23
IUPAC Name(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
SMILESCOc1ccc(COC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CO)c(OC)c1
InChIInChI=1S/C25H35N7O12/c1-42-16-4-3-15(17(5-16)43-2)14-44-25(41)12-32-23(39)10-30-21(37)8-28-19(35)6-26-18(34)7-27-20(36)9-29-22(38)11-31-24(40)13-33/h3-5,33H,6-14H2,1-2H3,(H,26,34)(H,27,36)(H,28,35)(H,29,38)(H,30,37)(H,31,40)(H,32,39)
InChIKeyVQEYBBLDLVDVBN-UHFFFAOYSA-N
XLogP-5.45
TPSA268.69 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500625.59
LogP ≤ 5-5.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
(2,4-dimethoxyphenyl)methyl (E)-4-iodo-3-methylbut-3-enoate
CID 24874415
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955
(2,4-dimethoxyphenyl)methyl 1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 154965261
2-(2,5-dimethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 78823018
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate (CID 166726717) is (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is COc1ccc(COC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CO)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is VQEYBBLDLVDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O12/c1-42-16-4-3-15(17(5-16)43-2)14-44-25(41)12-32-23(39)10-30-21(37)8-28-19(35)6-26-18(34)7-27-20(36)9-29-22(38)11-31-24(40)13-33/h3-5,33H,6-14H2,1-2H3,(H,26,34)(H,27,36)(H,28,35)(H,29,38)(H,30,37)(H,31,40)(H,32,39).
What are the key properties of (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate?
(2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 625.59 g/mol, XLogP of -5.45, 19 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-hydroxyacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 166726717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).