[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate

C24H28N2O10 — CID 24683584

IUPAC[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H28N2O10/c1-31-15-7-5-8-16(32-2)21(15)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)22-17(33-3)9-6-10-18(22)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDSBRKKYZKMHWDN-UHFFFAOYSA-N
MW504.49 g/mol
LogP0.97
Rot. Bonds13

About [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate

[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate (PubChem CID 24683584) has the molecular formula C24H28N2O10 and a molecular weight of 504.49 g/mol. Its IUPAC name is [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
PubChem CID24683584
Molecular FormulaC24H28N2O10
Molecular Weight504.49 g/mol
Exact Mass504.17
IUPAC Name[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
SMILESCOc1cccc(OC)c1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1c(OC)cccc1OC
InChIInChI=1S/C24H28N2O10/c1-31-15-7-5-8-16(32-2)21(15)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)22-17(33-3)9-6-10-18(22)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyDSBRKKYZKMHWDN-UHFFFAOYSA-N
XLogP0.97
TPSA147.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414209
[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8872357
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807895
[2-(benzylcarbamoylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2122372
[2-(2-iodoanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2636059
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 8513496
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
[2-(3-methylbutylamino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2528100
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The IUPAC name of [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate (CID 24683584) is [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate.
What is the SMILES notation for [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The canonical SMILES for [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate is COc1cccc(OC)c1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1c(OC)cccc1OC.
What is the InChIKey of [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate?
The InChIKey is DSBRKKYZKMHWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O10/c1-31-15-7-5-8-16(32-2)21(15)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)22-17(33-3)9-6-10-18(22)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate?
[2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate has a molecular weight of 504.49 g/mol, XLogP of 0.97, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[2-(2,6-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,6-dimethoxybenzoate is sourced from PubChem (CID 24683584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).