(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C18H28N4O2 — CID 168678784

IUPAC(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)15(23)21-7-12-13(8-21)18(12,6)16(24)20-17(3,4)5/h9-13H,7-8H2,1-6H3,(H,20,24)/t12-,13+,18?
InChIKeyQYXWYKOZGTYWNS-NCNPBXTDSA-N
MW332.45 g/mol
LogP2.09
Rot. Bonds3

About (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168678784) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168678784
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)15(23)21-7-12-13(8-21)18(12,6)16(24)20-17(3,4)5/h9-13H,7-8H2,1-6H3,(H,20,24)/t12-,13+,18?
InChIKeyQYXWYKOZGTYWNS-NCNPBXTDSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 168678784) is (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)n1cnc(C(=O)N2C[C@@H]3[C@H](C2)C3(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is QYXWYKOZGTYWNS-NCNPBXTDSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)15(23)21-7-12-13(8-21)18(12,6)16(24)20-17(3,4)5/h9-13H,7-8H2,1-6H3,(H,20,24)/t12-,13+,18?.
What are the key properties of (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-tert-butyl-6-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168678784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).