2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene

C49H92N6O8 — CID 171621214

About 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene

2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene (PubChem CID 171621214) has the molecular formula C49H92N6O8 and a molecular weight of 893.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene
• PubChem CID: 171621214
• Molecular Formula: C49H92N6O8
• Molecular Weight: 893.31 g/mol
• Exact Mass: 892.70
• IUPAC Name: 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene
• SMILES: CCC.CCC(C)C(C(CC(=O)N1CCC[C@H]1C(OC)C(C)C(=O)NCC=O)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C.CNCCC(C)(C)OC(C)C.Cc1ccccc1
• InChI: InChI=1S/C30H55N5O7.C9H21NO.C7H8.C3H8/c1-11-20(4)27(34(8)25(38)18-32-30(40)26(19(2)3)33(6)7)23(41-9)17-24(37)35-15-12-13-22(35)28(42-10)21(5)29(39)31-14-16-36;1-8(2)11-9(3,4)6-7-10-5;1-7-5-3-2-4-6-7;1-3-2/h16,19-23,26-28H,11-15,17-18H2,1-10H3,(H,31,39)(H,32,40);8,10H,6-7H2,1-5H3;2-6H,1H3;3H2,1-2H3/t20?,21?,22-,23?,26?,27?,28?;;;/m0.../s1
• InChIKey: MAJPINMFIPTKND-AEPQUCQYSA-N
• XLogP: 6.14
• TPSA: 158.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.31
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene?

The IUPAC name of 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene (CID 171621214) is 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene.

What is the SMILES notation for 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene?

The canonical SMILES for 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene is CCC.CCC(C)C(C(CC(=O)N1CCC[C@H]1C(OC)C(C)C(=O)NCC=O)OC)N(C)C(=O)CNC(=O)C(C(C)C)N(C)C.CNCCC(C)(C)OC(C)C.Cc1ccccc1.

What is the InChIKey of 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene?

The InChIKey is MAJPINMFIPTKND-AEPQUCQYSA-N. The full InChI is InChI=1S/C30H55N5O7.C9H21NO.C7H8.C3H8/c1-11-20(4)27(34(8)25(38)18-32-30(40)26(19(2)3)33(6)7)23(41-9)17-24(37)35-15-12-13-22(35)28(42-10)21(5)29(39)31-14-16-36;1-8(2)11-9(3,4)6-7-10-5;1-7-5-3-2-4-6-7;1-3-2/h16,19-23,26-28H,11-15,17-18H2,1-10H3,(H,31,39)(H,32,40);8,10H,6-7H2,1-5H3;2-6H,1H3;3H2,1-2H3/t20?,21?,22-,23?,26?,27?,28?;;;/m0.../s1.

What are the key properties of 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene?

2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene has a molecular weight of 893.31 g/mol, XLogP of 6.14, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[2-[[3-methoxy-1-[(2S)-2-[1-methoxy-2-methyl-3-oxo-3-(2-oxoethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methylbutanamide;N,3-dimethyl-3-propan-2-yloxybutan-1-amine;propane;toluene is sourced from PubChem (CID 171621214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).