tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate

C20H35N3O4 — CID 59282735

IUPACtert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN(Cc1nccn1CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H35N3O4/c1-18(2,3)23(14-17(25)27-20(7,8)9)12-15-21-10-11-22(15)13-16(24)26-19(4,5)6/h10-11H,12-14H2,1-9H3
InChIKeyTVTJDOZTKIOWNR-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.17
Rot. Bonds6

About tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate

tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate (PubChem CID 59282735) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate
PubChem CID59282735
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Nametert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN(Cc1nccn1CC(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H35N3O4/c1-18(2,3)23(14-17(25)27-20(7,8)9)12-15-21-10-11-22(15)13-16(24)26-19(4,5)6/h10-11H,12-14H2,1-9H3
InChIKeyTVTJDOZTKIOWNR-UHFFFAOYSA-N
XLogP3.17
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate with MolForge

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Related Compounds

tert-butyl 2-[2-[[decyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate;carbon dioxide
CID 161153616
tert-butyl 2-(2-bromoimidazol-1-yl)acetate
CID 155977843
(2R)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid
CID 71561780
(2S)-2-amino-6-[bis[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl]amino]hexanoic acid;technetium
CID 59408651
tert-butyl 2-[2-[[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]imidazol-1-yl]acetate
CID 46218954
tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 59404348
1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-[[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-2-yl]methyl-[4-[4-(sulfinatoamino)phenyl]butyl]amino]methyl]imidazole
CID 90455322
2-[[2-(2-formylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic acid
CID 87285614
1-[2-[(dimethylamino)methyl]imidazol-1-yl]propan-2-one
CID 138526725
11-[1-[1-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]propan-2-ylamino]undecanoic acid
CID 149417091
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
11-[1-[1-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]imidazol-2-yl]butan-2-ylamino]undecanoic acid
CID 121286185

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate (CID 59282735) is tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate is CC(C)(C)OC(=O)CN(Cc1nccn1CC(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate?
The InChIKey is TVTJDOZTKIOWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-18(2,3)23(14-17(25)27-20(7,8)9)12-15-21-10-11-22(15)13-16(24)26-19(4,5)6/h10-11H,12-14H2,1-9H3.
What are the key properties of tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate?
tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate has a molecular weight of 381.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[[tert-butyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]imidazol-1-yl]acetate is sourced from PubChem (CID 59282735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).