[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate

C19H26N2O5 — CID 55701441

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2(O)CCCC2)c(C)c1
InChIInChI=1S/C19H26N2O5/c1-12-8-13(2)17(14(3)9-12)21-15(22)10-20-16(23)11-26-18(24)19(25)6-4-5-7-19/h8-9,25H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYWHZWZSETXLOFI-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.51
Rot. Bonds6

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate (PubChem CID 55701441) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
PubChem CID55701441
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2(O)CCCC2)c(C)c1
InChIInChI=1S/C19H26N2O5/c1-12-8-13(2)17(14(3)9-12)21-15(22)10-20-16(23)11-26-18(24)19(25)6-4-5-7-19/h8-9,25H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYWHZWZSETXLOFI-UHFFFAOYSA-N
XLogP1.51
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33274738
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 1-hydroxycyclohexane-1-carboxylate
CID 55569249
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-hydroxy-5-methylbenzoate
CID 40933179
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866466
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55999227
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-formylbenzoate
CID 7669047
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylsulfonylbenzoate
CID 55310625
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] pyridine-2-carboxylate
CID 7477161

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate (CID 55701441) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2(O)CCCC2)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is YWHZWZSETXLOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-12-8-13(2)17(14(3)9-12)21-15(22)10-20-16(23)11-26-18(24)19(25)6-4-5-7-19/h8-9,25H,4-7,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 55701441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).