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

C30H41N5O5 — CID 166156937

About N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (PubChem CID 166156937) has the molecular formula C30H41N5O5 and a molecular weight of 551.69 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 166156937
• Molecular Formula: C30H41N5O5
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.31
• IUPAC Name: N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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)N[C@H](C=O)C[C@@H]2CCNC2=O)C1(C)C
• InChI: InChI=1S/C30H41N5O5/c1-17-15-35(24(30(17,5)6)27(39)32-20(16-36)13-19-11-12-31-25(19)37)28(40)23(29(2,3)4)34-26(38)22-14-18-9-7-8-10-21(18)33-22/h7-10,14,16-17,19-20,23-24,33H,11-13,15H2,1-6H3,(H,31,37)(H,32,39)(H,34,38)/t17-,19+,20+,23-,24-/m1/s1
• InChIKey: PLFXVDVPKFVHCS-PGBQVBORSA-N
• XLogP: 2.40
• TPSA: 140.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	2.40
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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide (CID 166156937) is N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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)N[C@H](C=O)C[C@@H]2CCNC2=O)C1(C)C.

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

The InChIKey is PLFXVDVPKFVHCS-PGBQVBORSA-N. The full InChI is InChI=1S/C30H41N5O5/c1-17-15-35(24(30(17,5)6)27(39)32-20(16-36)13-19-11-12-31-25(19)37)28(40)23(29(2,3)4)34-26(38)22-14-18-9-7-8-10-21(18)33-22/h7-10,14,16-17,19-20,23-24,33H,11-13,15H2,1-6H3,(H,31,37)(H,32,39)(H,34,38)/t17-,19+,20+,23-,24-/m1/s1.

What are the key properties of N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S,4S)-3,3,4-trimethyl-2-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 551.69 g/mol, XLogP of 2.40, 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-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166156937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).