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

C26H25ClN2O6 — CID 42445917

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O6/c1-4-29(17-10-6-5-7-11-17)24(30)16-35-26(32)19-14-22(33-2)23(34-3)15-21(19)28-25(31)18-12-8-9-13-20(18)27/h5-15H,4,16H2,1-3H3,(H,28,31)
InChIKeyBBSBDAPRSUNQGR-UHFFFAOYSA-N
MW496.95 g/mol
LogP4.82
Rot. Bonds9

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

[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (PubChem CID 42445917) has the molecular formula C26H25ClN2O6 and a molecular weight of 496.95 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
PubChem CID42445917
Molecular FormulaC26H25ClN2O6
Molecular Weight496.95 g/mol
Exact Mass496.14
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C26H25ClN2O6/c1-4-29(17-10-6-5-7-11-17)24(30)16-35-26(32)19-14-22(33-2)23(34-3)15-21(19)28-25(31)18-12-8-9-13-20(18)27/h5-15H,4,16H2,1-3H3,(H,28,31)
InChIKeyBBSBDAPRSUNQGR-UHFFFAOYSA-N
XLogP4.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-(dibenzylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 4844887
(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-(2-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445888
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 31409809
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986912
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethoxybenzamide
CID 30804314
(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
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42990147
[2-(N-ethylanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531067

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate (CID 42445917) is [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is CCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
The InChIKey is BBSBDAPRSUNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O6/c1-4-29(17-10-6-5-7-11-17)24(30)16-35-26(32)19-14-22(33-2)23(34-3)15-21(19)28-25(31)18-12-8-9-13-20(18)27/h5-15H,4,16H2,1-3H3,(H,28,31).
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate?
[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate has a molecular weight of 496.95 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 42445917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).