[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

C32H29ClN2O6 — CID 4844887

IUPAC[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC
InChIInChI=1S/C32H29ClN2O6/c1-39-28-17-25(27(18-29(28)40-2)34-31(37)24-15-9-10-16-26(24)33)32(38)41-21-30(36)35(19-22-11-5-3-6-12-22)20-23-13-7-4-8-14-23/h3-18H,19-21H2,1-2H3,(H,34,37)
InChIKeyXJJXEMIERPCTDA-UHFFFAOYSA-N
MW573.05 g/mol
LogP6.00
Rot. Bonds11

About [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate

[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 4844887) has the molecular formula C32H29ClN2O6 and a molecular weight of 573.05 g/mol. Its IUPAC name is [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID4844887
Molecular FormulaC32H29ClN2O6
Molecular Weight573.05 g/mol
Exact Mass572.17
IUPAC Name[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCOc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC
InChIInChI=1S/C32H29ClN2O6/c1-39-28-17-25(27(18-29(28)40-2)34-31(37)24-15-9-10-16-26(24)33)32(38)41-21-30(36)35(19-22-11-5-3-6-12-22)20-23-13-7-4-8-14-23/h3-18H,19-21H2,1-2H3,(H,34,37)
InChIKeyXJJXEMIERPCTDA-UHFFFAOYSA-N
XLogP6.00
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate with MolForge

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445917
(2-benzamido-2-oxoethyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445765
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42980409
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31409809
[2-(2-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445888
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 16528414
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31133315
2-(4-cyanophenoxy)ethyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445805
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 27973396
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42990147

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (CID 4844887) is [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is COc1cc(NC(=O)c2ccccc2Cl)c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC.
What is the InChIKey of [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is XJJXEMIERPCTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN2O6/c1-39-28-17-25(27(18-29(28)40-2)34-31(37)24-15-9-10-16-26(24)33)32(38)41-21-30(36)35(19-22-11-5-3-6-12-22)20-23-13-7-4-8-14-23/h3-18H,19-21H2,1-2H3,(H,34,37).
What are the key properties of [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 573.05 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 4844887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).