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

C17H26N4O2 — CID 167524507

IUPACN-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)NC(C)(C)C)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)
InChIKeyRQJBMICURYTJKH-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.70
Rot. Bonds3

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

N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167524507) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167524507
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)NC(C)(C)C)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)
InChIKeyRQJBMICURYTJKH-UHFFFAOYSA-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

Analyze N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Imidazole-4-carboxylic acid {(S)-2-methyl-1-[2-(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-amide
CID 21033975
US10022354, Example 19
CID 121279557
US10022354, Example 204
CID 121279712
US10022354, Example 203
CID 132070232
US11691968, Example 75
CID 167524474
US11691968, Example 69
CID 167524479
US11691968, Example 59
CID 167524481
US11691968, Example 66
CID 167524496
US11691968, Example 87
CID 167524517
US11691968, Example 60
CID 167524545
US20230271952, Example 59
CID 168678773
US20230271952, Example 60
CID 168678774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 167524507) is N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is RQJBMICURYTJKH-UHFFFAOYSA-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).
What are the key properties of N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
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 N-tert-butyl-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167524507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).