2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide

C38H51N11O7 — CID 10373040

About 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 10373040) has the molecular formula C38H51N11O7 and a molecular weight of 773.90 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

• Compound Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide
• PubChem CID: 10373040
• Molecular Formula: C38H51N11O7
• Molecular Weight: 773.90 g/mol
• Exact Mass: 773.40
• IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide
• SMILES: CN(CCCN)CCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCN(C)CCCNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)CN)C3=O
• InChI: InChI=1S/C38H51N11O7/c1-46(13-3-11-39)15-5-17-48-35(53)25-7-9-27-33-28(10-8-26(32(25)33)36(48)54)38(56)49(37(27)55)18-6-16-47(2)14-4-12-42-34(52)29(19-24-21-41-23-44-24)45-31(51)22-43-30(50)20-40/h7-10,21,23,29H,3-6,11-20,22,39-40H2,1-2H3,(H,41,44)(H,42,52)(H,43,50)(H,45,51)
• InChIKey: YAEXTSYZJMEFSA-UHFFFAOYSA-N
• XLogP: -0.94
• TPSA: 249.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	773.90
LogP ≤ 5	-0.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide?

The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide (CID 10373040) is 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide.

What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide?

The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide is CN(CCCN)CCCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCCN(C)CCCNC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)CN)C3=O.

What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide?

The InChIKey is YAEXTSYZJMEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N11O7/c1-46(13-3-11-39)15-5-17-48-35(53)25-7-9-27-33-28(10-8-26(32(25)33)36(48)54)38(56)49(37(27)55)18-6-16-47(2)14-4-12-42-34(52)29(19-24-21-41-23-44-24)45-31(51)22-43-30(50)20-40/h7-10,21,23,29H,3-6,11-20,22,39-40H2,1-2H3,(H,41,44)(H,42,52)(H,43,50)(H,45,51).

What are the key properties of 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide?

2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 773.90 g/mol, XLogP of -0.94, 22 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[3-[3-[13-[3-[3-aminopropyl(methyl)amino]propyl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 10373040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).