N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen

C145H208N10O24 — CID 157114353

About N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen

N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen (PubChem CID 157114353) has the molecular formula C145H208N10O24 and a molecular weight of 2475.30 g/mol. Its IUPAC name is N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen.

Molecular Properties

• Compound Name: N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen
• PubChem CID: 157114353
• Molecular Formula: C145H208N10O24
• Molecular Weight: 2475.30 g/mol
• Exact Mass: 2473.54
• IUPAC Name: N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen
• SMILES: C.CC(C)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1.COCCOc1cc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)ccc1OC.COCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2Cc2ccccc2)C(C)C)ccc1OC.COc1ccc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)cc1OCCO.COc1ccc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)cc1OCCOCc1ccccc1.[H][H]
• InChI: InChI=1S/C37H48N2O6.C31H44N2O6.C30H42N2O6.C26H36N2O4.C20H32N2O2.CH4.H2/c1-27(2)39(25-32-24-38(36(41)45-37(3,4)5)23-31(32)21-28-13-9-7-10-14-28)35(40)30-17-18-33(42-6)34(22-30)44-20-19-43-26-29-15-11-8-12-16-29;1-22(2)33(29(34)24-13-14-27(37-7)28(18-24)38-16-15-36-6)21-26-20-32(30(35)39-31(3,4)5)19-25(26)17-23-11-9-8-10-12-23;1-21(2)32(28(34)23-12-13-26(36-6)27(17-23)37-15-14-33)20-25-19-31(29(35)38-30(3,4)5)18-24(25)16-22-10-8-7-9-11-22;1-19(2)28(18-23-17-27-16-22(23)14-20-8-6-5-7-9-20)26(29)21-10-11-24(31-4)25(15-21)32-13-12-30-3;1-15(2)21-12-18-14-22(19(23)24-20(3,4)5)13-17(18)11-16-9-7-6-8-10-16;;/h7-18,22,27,31-32H,19-21,23-26H2,1-6H3;8-14,18,22,25-26H,15-17,19-21H2,1-7H3;7-13,17,21,24-25,33H,14-16,18-20H2,1-6H3;5-11,15,19,22-23,27H,12-14,16-18H2,1-4H3;6-10,15,17-18,21H,11-14H2,1-5H3;1H4;1H/t31-,32+;25-,26+;24-,25+;22-,23+;17-,18-;;/m00000../s1
• InChIKey: AHFJWDWYFZLKOT-HHWVXVTKSA-N
• XLogP: 25.05
• TPSA: 345.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 50
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2475.30
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen?

The IUPAC name of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen (CID 157114353) is N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen.

What is the SMILES notation for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen?

The canonical SMILES for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen is C.CC(C)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1.COCCOc1cc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)ccc1OC.COCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2Cc2ccccc2)C(C)C)ccc1OC.COc1ccc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)cc1OCCO.COc1ccc(C(=O)N(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)C(C)C)cc1OCCOCc1ccccc1.[H][H].

What is the InChIKey of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen?

The InChIKey is AHFJWDWYFZLKOT-HHWVXVTKSA-N. The full InChI is InChI=1S/C37H48N2O6.C31H44N2O6.C30H42N2O6.C26H36N2O4.C20H32N2O2.CH4.H2/c1-27(2)39(25-32-24-38(36(41)45-37(3,4)5)23-31(32)21-28-13-9-7-10-14-28)35(40)30-17-18-33(42-6)34(22-30)44-20-19-43-26-29-15-11-8-12-16-29;1-22(2)33(29(34)24-13-14-27(37-7)28(18-24)38-16-15-36-6)21-26-20-32(30(35)39-31(3,4)5)19-25(26)17-23-11-9-8-10-12-23;1-21(2)32(28(34)23-12-13-26(36-6)27(17-23)37-15-14-33)20-25-19-31(29(35)38-30(3,4)5)18-24(25)16-22-10-8-7-9-11-22;1-19(2)28(18-23-17-27-16-22(23)14-20-8-6-5-7-9-20)26(29)21-10-11-24(31-4)25(15-21)32-13-12-30-3;1-15(2)21-12-18-14-22(19(23)24-20(3,4)5)13-17(18)11-16-9-7-6-8-10-16;;/h7-18,22,27,31-32H,19-21,23-26H2,1-6H3;8-14,18,22,25-26H,15-17,19-21H2,1-7H3;7-13,17,21,24-25,33H,14-16,18-20H2,1-6H3;5-11,15,19,22-23,27H,12-14,16-18H2,1-4H3;6-10,15,17-18,21H,11-14H2,1-5H3;1H4;1H/t31-,32+;25-,26+;24-,25+;22-,23+;17-,18-;;/m00000../s1.

What are the key properties of N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen?

N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen has a molecular weight of 2475.30 g/mol, XLogP of 25.05, 50 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-methoxy-3-(2-methoxyethoxy)-N-propan-2-ylbenzamide;tert-butyl (3R,4S)-3-benzyl-4-[[[3-(2-hydroxyethoxy)-4-methoxybenzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-methoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[[[4-methoxy-3-(2-phenylmethoxyethoxy)benzoyl]-propan-2-ylamino]methyl]pyrrolidine-1-carboxylate;tert-butyl (3R,4S)-3-benzyl-4-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate;methane;molecular hydrogen is sourced from PubChem (CID 157114353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).