[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

C17H23NO6 — CID 3302640

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)17(20)24-10-15(19)18-12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyOFTHCOXKBMRZPS-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.93
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (PubChem CID 3302640) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
PubChem CID3302640
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC
InChIInChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)17(20)24-10-15(19)18-12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyOFTHCOXKBMRZPS-UHFFFAOYSA-N
XLogP1.93
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Capobenic Acid
CID 30627
8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate
CID 5494
8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride
CID 6917843
2-Morpholino-1-methylethyl-3,4,5-trimethoxybenzoate
CID 43265
Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
CID 43267
14-[2-Oxo-2-(3,4,5-trimethoxyphenyl)acetyl]-3,8-dioxa-14-azabicyclo[8.3.1]tetradecane-2,9-dione
CID 44350464
2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337903
[2-Oxo-2-(2-phenylethylamino)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2356972
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 2370532
2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2415983
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate (CID 3302640) is [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OCC(=O)NC2CCCC2)cc(OC)c1OC.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
The InChIKey is OFTHCOXKBMRZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-21-13-8-11(9-14(22-2)16(13)23-3)17(20)24-10-15(19)18-12-6-4-5-7-12/h8-9,12H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate has a molecular weight of 337.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 3302640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).