4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide

C52H89N9O10 — CID 162858322

About 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide

4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide (PubChem CID 162858322) has the molecular formula C52H89N9O10 and a molecular weight of 1000.34 g/mol. Its IUPAC name is 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide
• PubChem CID: 162858322
• Molecular Formula: C52H89N9O10
• Molecular Weight: 1000.34 g/mol
• Exact Mass: 999.67
• IUPAC Name: 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide
• SMILES: CCC1CC(C(=O)N(C)C2C(=O)NC(CC(C)C)C(=O)C3CC(C)CN3C(=O)NC(CCC(C)C)C(=O)N(C)C(C(C)C)C(=O)N3CCCC3C(=O)N(C)C(CC(C)C)C(=O)NCC(=O)OC2C)N(C)C1
• InChI: InChI=1S/C52H89N9O10/c1-16-35-25-41(56(12)28-35)50(68)59(15)44-34(11)71-42(62)26-53-46(64)40(23-31(6)7)57(13)49(67)38-18-17-21-60(38)51(69)43(32(8)9)58(14)48(66)36(20-19-29(2)3)55-52(70)61-27-33(10)24-39(61)45(63)37(22-30(4)5)54-47(44)65/h29-41,43-44H,16-28H2,1-15H3,(H,53,64)(H,54,65)(H,55,70)
• InChIKey: MUPSGWYAESBVRP-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 218.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.34
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide (CID 162858322) is 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide is CCC1CC(C(=O)N(C)C2C(=O)NC(CC(C)C)C(=O)C3CC(C)CN3C(=O)NC(CCC(C)C)C(=O)N(C)C(C(C)C)C(=O)N3CCCC3C(=O)N(C)C(CC(C)C)C(=O)NCC(=O)OC2C)N(C)C1.

What is the InChIKey of 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide?

The InChIKey is MUPSGWYAESBVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H89N9O10/c1-16-35-25-41(56(12)28-35)50(68)59(15)44-34(11)71-42(62)26-53-46(64)40(23-31(6)7)57(13)49(67)38-18-17-21-60(38)51(69)43(32(8)9)58(14)48(66)36(20-19-29(2)3)55-52(70)61-27-33(10)24-39(61)45(63)37(22-30(4)5)54-47(44)65/h29-41,43-44H,16-28H2,1-15H3,(H,53,64)(H,54,65)(H,55,70).

What are the key properties of 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide?

4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide has a molecular weight of 1000.34 g/mol, XLogP of 3.28, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N,1-dimethyl-N-[6,15,22,30-tetramethyl-4-(3-methylbutyl)-16,26-bis(2-methylpropyl)-2,5,8,14,17,20,24,27-octaoxo-7-propan-2-yl-21-oxa-1,3,6,9,15,18,25-heptazatricyclo[26.3.0.09,13]hentriacontan-23-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162858322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).