(4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten

C23H36N4O2W — CID 157278886

About (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten

(4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten (PubChem CID 157278886) has the molecular formula C23H36N4O2W and a molecular weight of 584.41 g/mol. Its IUPAC name is (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten.

Molecular Properties

• Compound Name: (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten
• PubChem CID: 157278886
• Molecular Formula: C23H36N4O2W
• Molecular Weight: 584.41 g/mol
• Exact Mass: 584.23
• IUPAC Name: (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten
• SMILES: CC(C)N[C@@H](CCC(N)=O)CNC(Cc1c[nH]c2ccccc12)C(=O)C(C)(C)C.[W]
• InChI: InChI=1S/C23H36N4O2.W/c1-15(2)27-17(10-11-21(24)28)14-26-20(22(29)23(3,4)5)12-16-13-25-19-9-7-6-8-18(16)19;/h6-9,13,15,17,20,25-27H,10-12,14H2,1-5H3,(H2,24,28);/t17-,20?;/m0./s1
• InChIKey: AZKUHADHEBMNCG-KIJCEBLBSA-N
• XLogP: 2.91
• TPSA: 100.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.41
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten?

The IUPAC name of (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten (CID 157278886) is (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten.

What is the SMILES notation for (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten?

The canonical SMILES for (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten is CC(C)N[C@@H](CCC(N)=O)CNC(Cc1c[nH]c2ccccc12)C(=O)C(C)(C)C.[W].

What is the InChIKey of (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten?

The InChIKey is AZKUHADHEBMNCG-KIJCEBLBSA-N. The full InChI is InChI=1S/C23H36N4O2.W/c1-15(2)27-17(10-11-21(24)28)14-26-20(22(29)23(3,4)5)12-16-13-25-19-9-7-6-8-18(16)19;/h6-9,13,15,17,20,25-27H,10-12,14H2,1-5H3,(H2,24,28);/t17-,20?;/m0./s1.

What are the key properties of (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten?

(4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten has a molecular weight of 584.41 g/mol, XLogP of 2.91, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[[1-(1H-indol-3-yl)-4,4-dimethyl-3-oxopentan-2-yl]amino]-4-(propan-2-ylamino)pentanamide;tungsten is sourced from PubChem (CID 157278886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).