N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide

C31H43N5O5 — CID 166156941

About N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 166156941) has the molecular formula C31H43N5O5 and a molecular weight of 565.72 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 166156941
• Molecular Formula: C31H43N5O5
• Molecular Weight: 565.72 g/mol
• Exact Mass: 565.33
• IUPAC Name: N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
• SMILES: C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)[C@H](C(=O)NC(C=O)C[C@@H]2CCCNC2=O)C1(C)C
• InChI: InChI=1S/C31H43N5O5/c1-18-16-36(25(31(18,5)6)28(40)33-21(17-37)14-20-11-9-13-32-26(20)38)29(41)24(30(2,3)4)35-27(39)23-15-19-10-7-8-12-22(19)34-23/h7-8,10,12,15,17-18,20-21,24-25,34H,9,11,13-14,16H2,1-6H3,(H,32,38)(H,33,40)(H,35,39)/t18-,20+,21?,24-,25-/m1/s1
• InChIKey: LKWGDGSYGUHBGP-BXKBNGKWSA-N
• XLogP: 2.79
• TPSA: 140.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.72
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (CID 166156941) is N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide is C[C@@H]1CN(C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)[C@H](C(=O)NC(C=O)C[C@@H]2CCCNC2=O)C1(C)C.

What is the InChIKey of N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is LKWGDGSYGUHBGP-BXKBNGKWSA-N. The full InChI is InChI=1S/C31H43N5O5/c1-18-16-36(25(31(18,5)6)28(40)33-21(17-37)14-20-11-9-13-32-26(20)38)29(41)24(30(2,3)4)35-27(39)23-15-19-10-7-8-12-22(19)34-23/h7-8,10,12,15,17-18,20-21,24-25,34H,9,11,13-14,16H2,1-6H3,(H,32,38)(H,33,40)(H,35,39)/t18-,20+,21?,24-,25-/m1/s1.

What are the key properties of N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide?

N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 565.72 g/mol, XLogP of 2.79, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166156941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).