(2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

C34H53N5O7 — CID 146318848

About (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

(2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide (PubChem CID 146318848) has the molecular formula C34H53N5O7 and a molecular weight of 643.83 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
• PubChem CID: 146318848
• Molecular Formula: C34H53N5O7
• Molecular Weight: 643.83 g/mol
• Exact Mass: 643.39
• IUPAC Name: (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)cc(C)n3CCOCCOCCOCCO)CC1)C1CCCCC1
• InChI: InChI=1S/C34H53N5O7/c1-25-23-29-24-28(9-10-30(29)39(25)15-17-44-19-21-46-22-20-45-18-16-40)33(42)37-11-13-38(14-12-37)34(43)31(27-7-5-4-6-8-27)36-32(41)26(2)35-3/h9-10,23-24,26-27,31,35,40H,4-8,11-22H2,1-3H3,(H,36,41)/t26-,31-/m0/s1
• InChIKey: GIZACTWAFWGGAA-HVNZXBJASA-N
• XLogP: 1.95
• TPSA: 134.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.83
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide (CID 146318848) is (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide.

What is the SMILES notation for (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The canonical SMILES for (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCN(C(=O)c2ccc3c(c2)cc(C)n3CCOCCOCCOCCO)CC1)C1CCCCC1.

What is the InChIKey of (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

The InChIKey is GIZACTWAFWGGAA-HVNZXBJASA-N. The full InChI is InChI=1S/C34H53N5O7/c1-25-23-29-24-28(9-10-30(29)39(25)15-17-44-19-21-46-22-20-45-18-16-40)33(42)37-11-13-38(14-12-37)34(43)31(27-7-5-4-6-8-27)36-32(41)26(2)35-3/h9-10,23-24,26-27,31,35,40H,4-8,11-22H2,1-3H3,(H,36,41)/t26-,31-/m0/s1.

What are the key properties of (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide?

(2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide has a molecular weight of 643.83 g/mol, XLogP of 1.95, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1S)-1-cyclohexyl-2-[4-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylindole-5-carbonyl]piperazin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 146318848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).