ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane

C28H44N4O5 — CID 164544338

About ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane

ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane (PubChem CID 164544338) has the molecular formula C28H44N4O5 and a molecular weight of 516.68 g/mol. Its IUPAC name is ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane.

Molecular Properties

• Compound Name: ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane
• PubChem CID: 164544338
• Molecular Formula: C28H44N4O5
• Molecular Weight: 516.68 g/mol
• Exact Mass: 516.33
• IUPAC Name: ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane
• SMILES: CC.CC(C)C.CCC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1
• InChI: InChI=1S/C22H28N4O5.C4H10.C2H6/c1-3-18(27)16(10-13-6-5-9-23-21(13)29)26-20(28)12-24-22(30)17-11-14-15(25-17)7-4-8-19(14)31-2;1-4(2)3;1-2/h4,7-8,11,13,16,25H,3,5-6,9-10,12H2,1-2H3,(H,23,29)(H,24,30)(H,26,28);4H,1-3H3;1-2H3/t13-,16-;;/m0../s1
• InChIKey: TVNNQSXRDWAZTO-SYQYBFJOSA-N
• XLogP: 3.97
• TPSA: 129.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.68
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane?

The IUPAC name of ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane (CID 164544338) is ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane.

What is the SMILES notation for ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane?

The canonical SMILES for ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane is CC.CC(C)C.CCC(=O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)CNC(=O)c1cc2c(OC)cccc2[nH]1.

What is the InChIKey of ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane?

The InChIKey is TVNNQSXRDWAZTO-SYQYBFJOSA-N. The full InChI is InChI=1S/C22H28N4O5.C4H10.C2H6/c1-3-18(27)16(10-13-6-5-9-23-21(13)29)26-20(28)12-24-22(30)17-11-14-15(25-17)7-4-8-19(14)31-2;1-4(2)3;1-2/h4,7-8,11,13,16,25H,3,5-6,9-10,12H2,1-2H3,(H,23,29)(H,24,30)(H,26,28);4H,1-3H3;1-2H3/t13-,16-;;/m0../s1.

What are the key properties of ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane?

ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane has a molecular weight of 516.68 g/mol, XLogP of 3.97, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-methoxy-N-[2-oxo-2-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]pentan-2-yl]amino]ethyl]-1H-indole-2-carboxamide;2-methylpropane is sourced from PubChem (CID 164544338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).