N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide

C31H43N5O5 — CID 21017122

About N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 21017122) has the molecular formula C31H43N5O5 and a molecular weight of 565.72 g/mol. Its IUPAC name is N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 21017122
• Molecular Formula: C31H43N5O5
• Molecular Weight: 565.72 g/mol
• Exact Mass: 565.33
• IUPAC Name: N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: CCCC(NC(=O)C1C2C(CN1C(=O)C(NC(=O)C1Cc3ccccc3N1)C1CCCCC1)C2(C)C)C(=O)C(N)=O
• InChI: InChI=1S/C31H43N5O5/c1-4-10-21(26(37)27(32)38)34-29(40)25-23-19(31(23,2)3)16-36(25)30(41)24(17-11-6-5-7-12-17)35-28(39)22-15-18-13-8-9-14-20(18)33-22/h8-9,13-14,17,19,21-25,33H,4-7,10-12,15-16H2,1-3H3,(H2,32,38)(H,34,40)(H,35,39)
• InChIKey: SWVNGORVOQBDMK-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 150.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.72
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 21017122) is N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide is CCCC(NC(=O)C1C2C(CN1C(=O)C(NC(=O)C1Cc3ccccc3N1)C1CCCCC1)C2(C)C)C(=O)C(N)=O.

What is the InChIKey of N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is SWVNGORVOQBDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O5/c1-4-10-21(26(37)27(32)38)34-29(40)25-23-19(31(23,2)3)16-36(25)30(41)24(17-11-6-5-7-12-17)35-28(39)22-15-18-13-8-9-14-20(18)33-22/h8-9,13-14,17,19,21-25,33H,4-7,10-12,15-16H2,1-3H3,(H2,32,38)(H,34,40)(H,35,39).

What are the key properties of N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide?

N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 565.72 g/mol, XLogP of 1.91, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl-2-oxoethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 21017122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).