N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide

C30H39N5O5 — CID 170263586

About N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide

N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 170263586) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
• PubChem CID: 170263586
• Molecular Formula: C30H39N5O5
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.30
• IUPAC Name: N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide
• SMILES: O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C1CC1
• InChI: InChI=1S/C30H39N5O5/c36-17-22(15-21-12-13-31-27(21)37)32-28(38)24(14-18-6-2-1-3-7-18)34-30(40)26(19-10-11-19)35-29(39)25-16-20-8-4-5-9-23(20)33-25/h4-5,8-9,16-19,21-22,24,26,33H,1-3,6-7,10-15H2,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21-,22-,24-,26?/m0/s1
• InChIKey: YGKMMXOPUZRKTE-NAPBUYQCSA-N
• XLogP: 2.34
• TPSA: 149.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	5
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-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide (CID 170263586) is N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide is O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)C(NC(=O)c1cc2ccccc2[nH]1)C1CC1.

What is the InChIKey of N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide?

The InChIKey is YGKMMXOPUZRKTE-NAPBUYQCSA-N. The full InChI is InChI=1S/C30H39N5O5/c36-17-22(15-21-12-13-31-27(21)37)32-28(38)24(14-18-6-2-1-3-7-18)34-30(40)26(19-10-11-19)35-29(39)25-16-20-8-4-5-9-23(20)33-25/h4-5,8-9,16-19,21-22,24,26,33H,1-3,6-7,10-15H2,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21-,22-,24-,26?/m0/s1.

What are the key properties of N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide?

N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 549.67 g/mol, XLogP of 2.34, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-3-cyclohexyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-1-cyclopropyl-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 170263586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).