2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide

C52H99N7O7 — CID 142003280

About 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide

2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide (PubChem CID 142003280) has the molecular formula C52H99N7O7 and a molecular weight of 934.41 g/mol. Its IUPAC name is 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide.

Molecular Properties

• Compound Name: 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide
• PubChem CID: 142003280
• Molecular Formula: C52H99N7O7
• Molecular Weight: 934.41 g/mol
• Exact Mass: 933.76
• IUPAC Name: 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide
• SMILES: CCC(=O)C1CCCN1C(=O)CN(C)C(=O)C(C)NC(=O)C(CCCCN)NC(C)=O.CCCCCCCCCCCCNC(=O)CCC(CC)C(=O)NCCCCCCCCCCCC
• InChI: InChI=1S/C31H62N2O2.C21H37N5O5/c1-4-7-9-11-13-15-17-19-21-23-27-32-30(34)26-25-29(6-3)31(35)33-28-24-22-20-18-16-14-12-10-8-5-2;1-5-18(28)17-10-8-12-26(17)19(29)13-25(4)21(31)14(2)23-20(30)16(24-15(3)27)9-6-7-11-22/h29H,4-28H2,1-3H3,(H,32,34)(H,33,35);14,16-17H,5-13,22H2,1-4H3,(H,23,30)(H,24,27)
• InChIKey: ICWFWHGSHUPOBP-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 200.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 39
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.41
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide?

The IUPAC name of 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide (CID 142003280) is 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide.

What is the SMILES notation for 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide?

The canonical SMILES for 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide is CCC(=O)C1CCCN1C(=O)CN(C)C(=O)C(C)NC(=O)C(CCCCN)NC(C)=O.CCCCCCCCCCCCNC(=O)CCC(CC)C(=O)NCCCCCCCCCCCC.

What is the InChIKey of 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide?

The InChIKey is ICWFWHGSHUPOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62N2O2.C21H37N5O5/c1-4-7-9-11-13-15-17-19-21-23-27-32-30(34)26-25-29(6-3)31(35)33-28-24-22-20-18-16-14-12-10-8-5-2;1-5-18(28)17-10-8-12-26(17)19(29)13-25(4)21(31)14(2)23-20(30)16(24-15(3)27)9-6-7-11-22/h29H,4-28H2,1-3H3,(H,32,34)(H,33,35);14,16-17H,5-13,22H2,1-4H3,(H,23,30)(H,24,27).

What are the key properties of 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide?

2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide has a molecular weight of 934.41 g/mol, XLogP of 8.42, 39 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-6-amino-N-[1-[methyl-[2-oxo-2-(2-propanoylpyrrolidin-1-yl)ethyl]amino]-1-oxopropan-2-yl]hexanamide;N,N'-didodecyl-2-ethylpentanediamide is sourced from PubChem (CID 142003280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).