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

C17H26N4O2 — CID 168678777

IUPAC(1R,5S)-N-tert-butyl-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)NC(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12+,14?
InChIKeyRQJBMICURYTJKH-ONXXMXGDSA-N
MW318.42 g/mol
LogP1.70
Rot. Bonds3

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

(1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168678777) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168678777
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(1R,5S)-N-tert-butyl-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)NC(C)(C)C)[C@@H]3C2)c1
InChIInChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12+,14?
InChIKeyRQJBMICURYTJKH-ONXXMXGDSA-N
XLogP1.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 168678777) is (1R,5S)-N-tert-butyl-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-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-tert-butyl-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)NC(C)(C)C)[C@@H]3C2)c1.
What is the InChIKey of (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RQJBMICURYTJKH-ONXXMXGDSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-10(2)21-8-13(18-9-21)16(23)20-6-11-12(7-20)14(11)15(22)19-17(3,4)5/h8-12,14H,6-7H2,1-5H3,(H,19,22)/t11-,12+,14?.
What are the key properties of (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168678777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).