N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

C30H40N4O6 — CID 166156750

About N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 166156750) has the molecular formula C30H40N4O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 166156750
• Molecular Formula: C30H40N4O6
• Molecular Weight: 552.67 g/mol
• Exact Mass: 552.29
• IUPAC Name: N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)NC(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)NC(C(=O)CO)C(C)(C)C)C4(C)C)C3CC3)cc12
• InChI: InChI=1S/C30H40N4O6/c1-29(2,3)25(20(36)14-35)33-27(38)24-22-17(30(22,4)5)13-34(24)28(39)23(15-10-11-15)32-26(37)19-12-16-18(31-19)8-7-9-21(16)40-6/h7-9,12,15,17,22-25,31,35H,10-11,13-14H2,1-6H3,(H,32,37)(H,33,38)/t17-,22-,23?,24-,25?/m0/s1
• InChIKey: FEHPBMPGHYHIRD-UUIOIQQPSA-N
• XLogP: 2.26
• TPSA: 140.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.67
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide (CID 166156750) is N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(C(=O)N3C[C@H]4[C@@H]([C@H]3C(=O)NC(C(=O)CO)C(C)(C)C)C4(C)C)C3CC3)cc12.

What is the InChIKey of N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is FEHPBMPGHYHIRD-UUIOIQQPSA-N. The full InChI is InChI=1S/C30H40N4O6/c1-29(2,3)25(20(36)14-35)33-27(38)24-22-17(30(22,4)5)13-34(24)28(39)23(15-10-11-15)32-26(37)19-12-16-18(31-19)8-7-9-21(16)40-6/h7-9,12,15,17,22-25,31,35H,10-11,13-14H2,1-6H3,(H,32,37)(H,33,38)/t17-,22-,23?,24-,25?/m0/s1.

What are the key properties of N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide?

N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 552.67 g/mol, XLogP of 2.26, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyclopropyl-2-[(1R,2S,5S)-2-[(1-hydroxy-4,4-dimethyl-2-oxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166156750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).