N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

C38H55N7O6 — CID 11445460

About N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 11445460) has the molecular formula C38H55N7O6 and a molecular weight of 705.90 g/mol. Its IUPAC name is N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• PubChem CID: 11445460
• Molecular Formula: C38H55N7O6
• Molecular Weight: 705.90 g/mol
• Exact Mass: 705.42
• IUPAC Name: N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
• SMILES: CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1(C)CCCCC1)C(=O)N1CC2C(C1C(=O)NC(CC1CC1)C(=O)C(=O)NC1CC1)C2(C)C
• InChI: InChI=1S/C38H55N7O6/c1-36(2,3)30(44-34(50)29(38(6)14-8-7-9-15-38)43-31(47)25-19-39-16-17-40-25)35(51)45-20-23-26(37(23,4)5)27(45)32(48)42-24(18-21-10-11-21)28(46)33(49)41-22-12-13-22/h16-17,19,21-24,26-27,29-30H,7-15,18,20H2,1-6H3,(H,41,49)(H,42,48)(H,43,47)(H,44,50)
• InChIKey: HZMHUCPTBOZQQT-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 179.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.90
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The IUPAC name of N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 11445460) is N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide.

What is the SMILES notation for N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The canonical SMILES for N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1(C)CCCCC1)C(=O)N1CC2C(C1C(=O)NC(CC1CC1)C(=O)C(=O)NC1CC1)C2(C)C.

What is the InChIKey of N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

The InChIKey is HZMHUCPTBOZQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N7O6/c1-36(2,3)30(44-34(50)29(38(6)14-8-7-9-15-38)43-31(47)25-19-39-16-17-40-25)35(51)45-20-23-26(37(23,4)5)27(45)32(48)42-24(18-21-10-11-21)28(46)33(49)41-22-12-13-22/h16-17,19,21-24,26-27,29-30H,7-15,18,20H2,1-6H3,(H,41,49)(H,42,48)(H,43,47)(H,44,50).

What are the key properties of N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide?

N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 705.90 g/mol, XLogP of 2.69, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[3,3-dimethyl-2-[[2-(1-methylcyclohexyl)-2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 11445460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).