dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate

C17H23NO6 — CID 8886147

IUPACdimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCC(C)(C)NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C17H23NO6/c1-6-17(2,3)18-14(19)10-24-13-8-11(15(20)22-4)7-12(9-13)16(21)23-5/h7-9H,6,10H2,1-5H3,(H,18,19)
InChIKeyZLEMDRYSHLHBPR-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.94
Rot. Bonds7

About dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate

dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate (PubChem CID 8886147) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate
PubChem CID8886147
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Namedimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCC(C)(C)NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1
InChIInChI=1S/C17H23NO6/c1-6-17(2,3)18-14(19)10-24-13-8-11(15(20)22-4)7-12(9-13)16(21)23-5/h7-9H,6,10H2,1-5H3,(H,18,19)
InChIKeyZLEMDRYSHLHBPR-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyano-5-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 103566935
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 103566114
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
3-(2-amino-2-oxoethoxy)-5-methoxycarbonylbenzoic acid
CID 59608227
dimethyl 5-[2-[[(2R)-heptan-2-yl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 8886137
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate (CID 8886147) is dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate is CCC(C)(C)NC(=O)COc1cc(C(=O)OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
The InChIKey is ZLEMDRYSHLHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-6-17(2,3)18-14(19)10-24-13-8-11(15(20)22-4)7-12(9-13)16(21)23-5/h7-9H,6,10H2,1-5H3,(H,18,19).
What are the key properties of dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate?
dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate has a molecular weight of 337.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 8886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).