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

C19H25NO6 — CID 18193438

IUPAC[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1OC)C1=CCCC1
InChIInChI=1S/C19H25NO6/c1-5-20(13-8-6-7-9-13)18(21)12-26-19(22)14-10-16(24-3)17(25-4)11-15(14)23-2/h8,10-11H,5-7,9,12H2,1-4H3
InChIKeyRBZLTGFZGPGXME-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.79
Rot. Bonds8

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

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate (PubChem CID 18193438) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
PubChem CID18193438
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1OC)C1=CCCC1
InChIInChI=1S/C19H25NO6/c1-5-20(13-8-6-7-9-13)18(21)12-26-19(22)14-10-16(24-3)17(25-4)11-15(14)23-2/h8,10-11H,5-7,9,12H2,1-4H3
InChIKeyRBZLTGFZGPGXME-UHFFFAOYSA-N
XLogP2.79
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 18193791
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 18193445
2-[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethoxy]-4-methylbenzamide
CID 24585380
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 8512677
2-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014355
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8521907
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169986
2-(4-amino-2-methoxyphenyl)sulfanyl-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79836851
2-bromo-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 81223051
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 18281287
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18194149
[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 18193487

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate (CID 18193438) is [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate is CCN(C(=O)COC(=O)c1cc(OC)c(OC)cc1OC)C1=CCCC1.
What is the InChIKey of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is RBZLTGFZGPGXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-5-20(13-8-6-7-9-13)18(21)12-26-19(22)14-10-16(24-3)17(25-4)11-15(14)23-2/h8,10-11H,5-7,9,12H2,1-4H3.
What are the key properties of [2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate?
[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 363.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 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] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 18193438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).