[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate

C18H35NO3 — CID 156738290

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate
SMILESCCCC(C)(C)CC(C)(C)CC(=O)OCC(=O)NCC(C)C
InChIInChI=1S/C18H35NO3/c1-8-9-17(4,5)13-18(6,7)10-16(21)22-12-15(20)19-11-14(2)3/h14H,8-13H2,1-7H3,(H,19,20)
InChIKeyLSBSDKVVWLUGHF-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.93
Rot. Bonds10

About [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate

[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate (PubChem CID 156738290) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate
PubChem CID156738290
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate
SMILESCCCC(C)(C)CC(C)(C)CC(=O)OCC(=O)NCC(C)C
InChIInChI=1S/C18H35NO3/c1-8-9-17(4,5)13-18(6,7)10-16(21)22-12-15(20)19-11-14(2)3/h14H,8-13H2,1-7H3,(H,19,20)
InChIKeyLSBSDKVVWLUGHF-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
ethyl 3,3-dimethylhexanoate;ethyl 5,5-dimethyl-3-oxooctanoate
CID 159254679
2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide
CID 65050473
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187398
ethyl 3,3,5,5-tetramethyl-6-sulfamoylhexanoate
CID 167520571
[2-(2-methylpropylamino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212537
3,3-dimethyl-N-(2,4,4,5-tetramethylhexyl)hexanamide
CID 155456074
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 16560654
ethyl 3-hydroxy-3,6-dimethylheptanoate
CID 62395041
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
[2-(2-methylpropylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2371049

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate (CID 156738290) is [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate is CCCC(C)(C)CC(C)(C)CC(=O)OCC(=O)NCC(C)C.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate?
The InChIKey is LSBSDKVVWLUGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-8-9-17(4,5)13-18(6,7)10-16(21)22-12-15(20)19-11-14(2)3/h14H,8-13H2,1-7H3,(H,19,20).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate?
[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate has a molecular weight of 313.48 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate is sourced from PubChem (CID 156738290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).