(2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol

C75H178N12O15 — CID 162277641

About (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol

(2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol (PubChem CID 162277641) has the molecular formula C75H178N12O15 and a molecular weight of 1488.32 g/mol. Its IUPAC name is (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol.

Molecular Properties

• Compound Name: (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol
• PubChem CID: 162277641
• Molecular Formula: C75H178N12O15
• Molecular Weight: 1488.32 g/mol
• Exact Mass: 1487.35
• IUPAC Name: (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol
• SMILES: C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC.CC(=O)N1CCCC1(C)C(=O)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCCCC1)C(C)C.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCOC(C)(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.N.N.N.N
• InChI: InChI=1S/C25H43N3O4.C8H10.C6H14O.3C5H12.C3H8O.2C2H6.5CH5N.9CH2O.4H3N/c1-17(2)15-21(24(32)27-12-8-7-9-13-27)26-23(31)20(18(3)4)16-22(30)25(6)11-10-14-28(25)19(5)29;1-2-8-6-4-3-5-7-8;1-5-7-6(2,3)4;3*1-4-5(2)3;1-3(2)4;16*1-2;;;;/h17-18,20-21H,7-16H2,1-6H3,(H,26,31);3-7H,2H2,1H3;5H2,1-4H3;3*5H,4H2,1-3H3;3-4H,1-2H3;2*1-2H3;5*2H2,1H3;9*1H2;4*1H3/t20-,21-,25?;;;;;;;;;;;;;;;;;;;;;;;;;;/m0........................../s1
• InChIKey: DZVZDEPRUOVTSI-AGNKOHJJSA-N
• XLogP: 12.69
• TPSA: 539.98 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1488.32
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol?

The IUPAC name of (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol (CID 162277641) is (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol.

What is the SMILES notation for (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol?

The canonical SMILES for (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol is C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.CC.CC.CC(=O)N1CCCC1(C)C(=O)C[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCCCC1)C(C)C.CC(C)O.CCC(C)C.CCC(C)C.CCC(C)C.CCOC(C)(C)C.CCc1ccccc1.CN.CN.CN.CN.CN.N.N.N.N.

What is the InChIKey of (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol?

The InChIKey is DZVZDEPRUOVTSI-AGNKOHJJSA-N. The full InChI is InChI=1S/C25H43N3O4.C8H10.C6H14O.3C5H12.C3H8O.2C2H6.5CH5N.9CH2O.4H3N/c1-17(2)15-21(24(32)27-12-8-7-9-13-27)26-23(31)20(18(3)4)16-22(30)25(6)11-10-14-28(25)19(5)29;1-2-8-6-4-3-5-7-8;1-5-7-6(2,3)4;3*1-4-5(2)3;1-3(2)4;16*1-2;;;;/h17-18,20-21H,7-16H2,1-6H3,(H,26,31);3-7H,2H2,1H3;5H2,1-4H3;3*5H,4H2,1-3H3;3-4H,1-2H3;2*1-2H3;5*2H2,1H3;9*1H2;4*1H3/t20-,21-,25?;;;;;;;;;;;;;;;;;;;;;;;;;;/m0........................../s1.

What are the key properties of (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol?

(2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol has a molecular weight of 1488.32 g/mol, XLogP of 12.69, 14 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-(1-acetyl-2-methylpyrrolidin-2-yl)-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-oxo-2-propan-2-ylbutanamide;azane;ethane;2-ethoxy-2-methylpropane;ethylbenzene;formaldehyde;methanamine;tris(2-methylbutane);propan-2-ol is sourced from PubChem (CID 162277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).