2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide

C36H51N7O6 — CID 142905645

About 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide

2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 142905645) has the molecular formula C36H51N7O6 and a molecular weight of 677.85 g/mol. Its IUPAC name is 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
• PubChem CID: 142905645
• Molecular Formula: C36H51N7O6
• Molecular Weight: 677.85 g/mol
• Exact Mass: 677.39
• IUPAC Name: 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
• SMILES: CNCC(NC(=O)C(Cc1ccccc1)NC)C(=O)NC(C=O)CC(C)C.NC(CC=O)C(=O)NCC(C=O)Cc1c[nH]c2ccccc12
• InChI: InChI=1S/C20H32N4O3.C16H19N3O3/c1-14(2)10-16(13-25)23-20(27)18(12-21-3)24-19(26)17(22-4)11-15-8-6-5-7-9-15;17-14(5-6-20)16(22)19-8-11(10-21)7-12-9-18-15-4-2-1-3-13(12)15/h5-9,13-14,16-18,21-22H,10-12H2,1-4H3,(H,23,27)(H,24,26);1-4,6,9-11,14,18H,5,7-8,17H2,(H,19,22)
• InChIKey: ZGJBZTGRTUIBQP-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 204.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.85
LogP ≤ 5	0.81
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-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?

The IUPAC name of 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide (CID 142905645) is 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide.

What is the SMILES notation for 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?

The canonical SMILES for 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide is CNCC(NC(=O)C(Cc1ccccc1)NC)C(=O)NC(C=O)CC(C)C.NC(CC=O)C(=O)NCC(C=O)Cc1c[nH]c2ccccc12.

What is the InChIKey of 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?

The InChIKey is ZGJBZTGRTUIBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3.C16H19N3O3/c1-14(2)10-16(13-25)23-20(27)18(12-21-3)24-19(26)17(22-4)11-15-8-6-5-7-9-15;17-14(5-6-20)16(22)19-8-11(10-21)7-12-9-18-15-4-2-1-3-13(12)15/h5-9,13-14,16-18,21-22H,10-12H2,1-4H3,(H,23,27)(H,24,26);1-4,6,9-11,14,18H,5,7-8,17H2,(H,19,22).

What are the key properties of 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide?

2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 677.85 g/mol, XLogP of 0.81, 20 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-formyl-3-(1H-indol-3-yl)propyl]-4-oxobutanamide;2-(methylamino)-N-[3-(methylamino)-1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 142905645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).