[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate

C24H28N2O10 — CID 24677783

IUPAC[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C24H28N2O10/c1-31-17-9-5-7-15(21(17)33-3)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)16-8-6-10-18(32-2)22(16)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyHPVNNIVXIKFMPF-UHFFFAOYSA-N
MW504.49 g/mol
LogP0.97
Rot. Bonds13

About [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate

[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 24677783) has the molecular formula C24H28N2O10 and a molecular weight of 504.49 g/mol. Its IUPAC name is [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID24677783
Molecular FormulaC24H28N2O10
Molecular Weight504.49 g/mol
Exact Mass504.17
IUPAC Name[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C24H28N2O10/c1-31-17-9-5-7-15(21(17)33-3)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)16-8-6-10-18(32-2)22(16)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyHPVNNIVXIKFMPF-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-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
[1-(Cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4877306
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 24685868
Methyl 2-[2-(cyclohexylamino)-2-oxoethoxy]benzoate
CID 891719
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-ethoxybenzoate
CID 2344906
[2-Oxo-2-(3-phenylpropylamino)ethyl] 3,4-dimethoxybenzoate
CID 2376888
[2-[2-(3,4-Diethoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 2479702
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 3446647
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3,4-dimethoxybenzoate
CID 4344800
[2-[2-(3,4-Diethoxyphenyl)ethylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 5136759
N-ethyl-2-[2-methoxy-4-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide
CID 7515619
[1-Oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 3,4-dimethoxybenzoate
CID 16228986

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate (CID 24677783) is [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc(C(=O)OCC(=O)NCCNC(=O)COC(=O)c2cccc(OC)c2OC)c1OC.
What is the InChIKey of [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is HPVNNIVXIKFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O10/c1-31-17-9-5-7-15(21(17)33-3)23(29)35-13-19(27)25-11-12-26-20(28)14-36-24(30)16-8-6-10-18(32-2)22(16)34-4/h5-10H,11-14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of [2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-[2-[[2-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-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-(2,3-dimethoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 24677783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).