2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide

C35H48N8O3 — CID 76732527

About 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide

2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide (PubChem CID 76732527) has the molecular formula C35H48N8O3 and a molecular weight of 628.82 g/mol. Its IUPAC name is 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide
• PubChem CID: 76732527
• Molecular Formula: C35H48N8O3
• Molecular Weight: 628.82 g/mol
• Exact Mass: 628.38
• IUPAC Name: 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide
• SMILES: CCN(CC)CCN1CN(c2ccccc2)C2(CCN(C(=O)C(Cc3ccccc3)NC(=O)C(N)Cc3cncn3C)CC2)C1=O
• InChI: InChI=1S/C35H48N8O3/c1-4-40(5-2)20-21-42-26-43(28-14-10-7-11-15-28)35(34(42)46)16-18-41(19-17-35)33(45)31(22-27-12-8-6-9-13-27)38-32(44)30(36)23-29-24-37-25-39(29)3/h6-15,24-25,30-31H,4-5,16-23,26,36H2,1-3H3,(H,38,44)
• InChIKey: USIJPISWXVFRNI-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 120.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	628.82
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide?

The IUPAC name of 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide (CID 76732527) is 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide.

What is the SMILES notation for 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide?

The canonical SMILES for 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide is CCN(CC)CCN1CN(c2ccccc2)C2(CCN(C(=O)C(Cc3ccccc3)NC(=O)C(N)Cc3cncn3C)CC2)C1=O.

What is the InChIKey of 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide?

The InChIKey is USIJPISWXVFRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N8O3/c1-4-40(5-2)20-21-42-26-43(28-14-10-7-11-15-28)35(34(42)46)16-18-41(19-17-35)33(45)31(22-27-12-8-6-9-13-27)38-32(44)30(36)23-29-24-37-25-39(29)3/h6-15,24-25,30-31H,4-5,16-23,26,36H2,1-3H3,(H,38,44).

What are the key properties of 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide?

2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide has a molecular weight of 628.82 g/mol, XLogP of 2.03, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-1-oxo-3-phenylpropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide is sourced from PubChem (CID 76732527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).