[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

C23H32N2O6 — CID 18193791

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C)C1=CCCC1
InChIInChI=1S/C23H32N2O6/c1-7-25(15-10-8-9-11-15)20(26)14-31-21(27)16-12-18(29-5)19(30-6)13-17(16)24-22(28)23(2,3)4/h10,12-13H,7-9,11,14H2,1-6H3,(H,24,28)
InChIKeyASQMURLNFKEMML-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.76
Rot. Bonds8

About [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (PubChem CID 18193791) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
PubChem CID18193791
Molecular FormulaC23H32N2O6
Molecular Weight432.52 g/mol
Exact Mass432.23
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C)C1=CCCC1
InChIInChI=1S/C23H32N2O6/c1-7-25(15-10-8-9-11-15)20(26)14-31-21(27)16-12-18(29-5)19(30-6)13-17(16)24-22(28)23(2,3)4/h10,12-13H,7-9,11,14H2,1-6H3,(H,24,28)
InChIKeyASQMURLNFKEMML-UHFFFAOYSA-N
XLogP3.76
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 18193438
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169986
[2-(N-ethylanilino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42445917
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 6926632
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79836851
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 55368001
2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
CID 24585380
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-acetamido-4,5-dimethoxybenzoate
CID 55401924
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18273291

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate (CID 18193791) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is CCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
The InChIKey is ASQMURLNFKEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-7-25(15-10-8-9-11-15)20(26)14-31-21(27)16-12-18(29-5)19(30-6)13-17(16)24-22(28)23(2,3)4/h10,12-13H,7-9,11,14H2,1-6H3,(H,24,28).
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate has a molecular weight of 432.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate is sourced from PubChem (CID 18193791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).