tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate

C16H26N4O4 — CID 67061931

IUPACtert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(CCCC(=O)N2CCOCC2)nc1N
InChIInChI=1S/C16H26N4O4/c1-16(2,3)24-15(22)20-11-12(18-14(20)17)5-4-6-13(21)19-7-9-23-10-8-19/h11H,4-10H2,1-3H3,(H2,17,18)
InChIKeyNPLAEEKPVSBIIN-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.43
Rot. Bonds4

About tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate

tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate (PubChem CID 67061931) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate
PubChem CID67061931
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(CCCC(=O)N2CCOCC2)nc1N
InChIInChI=1S/C16H26N4O4/c1-16(2,3)24-15(22)20-11-12(18-14(20)17)5-4-6-13(21)19-7-9-23-10-8-19/h11H,4-10H2,1-3H3,(H2,17,18)
InChIKeyNPLAEEKPVSBIIN-UHFFFAOYSA-N
XLogP1.43
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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tert-butyl 2-amino-4-[5-[1-[2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]ethyl]triazol-4-yl]pentyl]imidazole-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate (CID 67061931) is tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(CCCC(=O)N2CCOCC2)nc1N.
What is the InChIKey of tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate?
The InChIKey is NPLAEEKPVSBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-16(2,3)24-15(22)20-11-12(18-14(20)17)5-4-6-13(21)19-7-9-23-10-8-19/h11H,4-10H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate?
tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(4-morpholin-4-yl-4-oxobutyl)imidazole-1-carboxylate is sourced from PubChem (CID 67061931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).