[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate

C16H23NO6 — CID 7758376

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)(C)C)c(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-16(2,3)17-12(18)9-23-15(19)10-7-8-11(20-4)14(22-6)13(10)21-5/h7-8H,9H2,1-6H3,(H,17,18)
InChIKeyGWPNGAMASJKXIP-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.78
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate

[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate (PubChem CID 7758376) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
PubChem CID7758376
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)(C)C)c(OC)c1OC
InChIInChI=1S/C16H23NO6/c1-16(2,3)17-12(18)9-23-15(19)10-7-8-11(20-4)14(22-6)13(10)21-5/h7-8H,9H2,1-6H3,(H,17,18)
InChIKeyGWPNGAMASJKXIP-UHFFFAOYSA-N
XLogP1.78
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611242
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197908
[2-(benzylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2335043
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-(tert-butylamino)-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2693253
[2-(cyclooctylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 23876696
[2-oxo-2-(2-phenylethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 7976840
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 18201102
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 4792667
2-[2-[2-[2-(2,3,4-trimethoxybenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2,3,4-trimethoxybenzoate
CID 139804932
dimethyl 2,3-bis[2-(tert-butylamino)-2-oxoethoxy]benzene-1,4-dicarboxylate
CID 10874088
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8610685

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate (CID 7758376) is [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(C)(C)C)c(OC)c1OC.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is GWPNGAMASJKXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-16(2,3)17-12(18)9-23-15(19)10-7-8-11(20-4)14(22-6)13(10)21-5/h7-8H,9H2,1-6H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate?
[2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 325.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 7758376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).