2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

C48H59N7O8 — CID 138699197

About 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 138699197) has the molecular formula C48H59N7O8 and a molecular weight of 862.04 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• PubChem CID: 138699197
• Molecular Formula: C48H59N7O8
• Molecular Weight: 862.04 g/mol
• Exact Mass: 861.44
• IUPAC Name: 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
• SMILES: CC(NC(=O)C(C)(C)N)C(=O)NC(C)(C)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)(C)C(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C=O
• InChI: InChI=1S/C48H59N7O8/c1-29(50-42(61)46(4,5)49)39(58)54-47(6,7)43(62)52-37(27-31-21-22-32-15-13-14-18-35(32)25-31)41(60)55-48(8,9)44(63)51-36(40(59)53-45(2,3)28-56)26-30-19-23-34(24-20-30)38(57)33-16-11-10-12-17-33/h10-25,28-29,36-37H,26-27,49H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,59)(H,54,58)(H,55,60)
• InChIKey: JKELCTXVRHSKFW-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 234.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.04
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide (CID 138699197) is 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is CC(NC(=O)C(C)(C)N)C(=O)NC(C)(C)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)(C)C(=O)NC(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C=O.

What is the InChIKey of 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

The InChIKey is JKELCTXVRHSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59N7O8/c1-29(50-42(61)46(4,5)49)39(58)54-47(6,7)43(62)52-37(27-31-21-22-32-15-13-14-18-35(32)25-31)41(60)55-48(8,9)44(63)51-36(40(59)53-45(2,3)28-56)26-30-19-23-34(24-20-30)38(57)33-16-11-10-12-17-33/h10-25,28-29,36-37H,26-27,49H2,1-9H3,(H,50,61)(H,51,63)(H,52,62)(H,53,59)(H,54,58)(H,55,60).

What are the key properties of 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide?

2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 862.04 g/mol, XLogP of 2.95, 19 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-[[1-[[1-[[3-(4-benzoylphenyl)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 138699197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).