(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate

C17H23NO6 — CID 2441577

IUPAC(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H23NO6/c1-17(2,3)14(19)10-24-15(20)9-18-16(21)11-6-12(22-4)8-13(7-11)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyGPWBUBPCQONCLC-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.59
Rot. Bonds7

About (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate

(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2441577) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2441577
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H23NO6/c1-17(2,3)14(19)10-24-15(20)9-18-16(21)11-6-12(22-4)8-13(7-11)23-5/h6-8H,9-10H2,1-5H3,(H,18,21)
InChIKeyGPWBUBPCQONCLC-UHFFFAOYSA-N
XLogP1.59
TPSA90.93 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2120540
[1-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 4830601
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 5214804
[2-(cycloheptylamino)-2-oxoethyl] (2S)-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 16232298
N,N'-hexane-1,6-diylbis(3,5-dimethoxybenzamide)
CID 5083548
N-(3-Methoxybenzoyl)glycine
CID 585524
3,5-Dimethoxy-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 655249
3,5-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2097349
3,5-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2097372
(7-Methoxy-2-oxochromen-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2108636
[2-(2,5-Dimethoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2118501
3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 2163734

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2441577) is (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1cc(OC)cc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is GPWBUBPCQONCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-17(2,3)14(19)10-24-15(20)9-18-16(21)11-6-12(22-4)8-13(7-11)23-5/h6-8H,9-10H2,1-5H3,(H,18,21).
What are the key properties of (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate?
(3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 337.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2441577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).