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

C18H28N4O2 — CID 168678778

IUPAC(1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C(=O)N(C)C(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)15(12)17(24)20(6)18(3,4)5/h9-13,15H,7-8H2,1-6H3/t12-,13+,15?
InChIKeyTWUJMWMDAWIMJX-NNQSOWQGSA-N
MW332.45 g/mol
LogP2.04
Rot. Bonds3

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

(1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168678778) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168678778
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name(1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C(=O)N(C)C(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)15(12)17(24)20(6)18(3,4)5/h9-13,15H,7-8H2,1-6H3/t12-,13+,15?
InChIKeyTWUJMWMDAWIMJX-NNQSOWQGSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10022354, Example 19
CID 121279557
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CID 121279712
US11691968, Example 33
CID 166838352
US11691968, Example 75
CID 167524474
US11691968, Example 69
CID 167524479
US11691968, Example 59
CID 167524481
US11691968, Example 66
CID 167524496
US11691968, Example 65
CID 167524507
US11691968, Example 87
CID 167524517
US11691968, Example 60
CID 167524545
US11691968, Example 1
CID 168474691
US11691968, Example 12
CID 168474692

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 168678778) is (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-tert-butyl-N-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]3C(C(=O)N(C)C(C)(C)C)[C@@H]3C2)c1.
What is the InChIKey of (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is TWUJMWMDAWIMJX-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11(2)22-9-14(19-10-22)16(23)21-7-12-13(8-21)15(12)17(24)20(6)18(3,4)5/h9-13,15H,7-8H2,1-6H3/t12-,13+,15?.
What are the key properties of (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-tert-butyl-N-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 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-tert-butyl-N-methyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168678778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).