tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

C18H29N3O5 — CID 59404348

IUPACtert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O5/c1-13-19-8-9-20(13)10-14(22)21(11-15(23)25-17(2,3)4)12-16(24)26-18(5,6)7/h8-9H,10-12H2,1-7H3
InChIKeyOFRMXBINMYMBHR-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.70
Rot. Bonds6

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

tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (PubChem CID 59404348) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
PubChem CID59404348
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Nametert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
SMILESCc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N3O5/c1-13-19-8-9-20(13)10-14(22)21(11-15(23)25-17(2,3)4)12-16(24)26-18(5,6)7/h8-9H,10-12H2,1-7H3
InChIKeyOFRMXBINMYMBHR-UHFFFAOYSA-N
XLogP1.70
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate (CID 59404348) is tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is Cc1nccn1CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
The InChIKey is OFRMXBINMYMBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-13-19-8-9-20(13)10-14(22)21(11-15(23)25-17(2,3)4)12-16(24)26-18(5,6)7/h8-9H,10-12H2,1-7H3.
What are the key properties of tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate?
tert-butyl 2-[[2-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate has a molecular weight of 367.45 g/mol, XLogP of 1.70, 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-(2-methylimidazol-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 59404348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).