5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide

C34H50N6O4 — CID 76732438

About 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide

5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide (PubChem CID 76732438) has the molecular formula C34H50N6O4 and a molecular weight of 606.81 g/mol. Its IUPAC name is 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide.

Molecular Properties

• Compound Name: 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide
• PubChem CID: 76732438
• Molecular Formula: C34H50N6O4
• Molecular Weight: 606.81 g/mol
• Exact Mass: 606.39
• IUPAC Name: 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide
• SMILES: CCN(CC)CCN1CN(c2ccccc2)C2(CCN(C(=O)C(Cc3ccc(OC)cc3)NC(=O)CCCCN)CC2)C1=O
• InChI: InChI=1S/C34H50N6O4/c1-4-37(5-2)23-24-39-26-40(28-11-7-6-8-12-28)34(33(39)43)18-21-38(22-19-34)32(42)30(36-31(41)13-9-10-20-35)25-27-14-16-29(44-3)17-15-27/h6-8,11-12,14-17,30H,4-5,9-10,13,18-26,35H2,1-3H3,(H,36,41)
• InChIKey: VJFGCGLMKABLSS-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 111.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.81
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide?

The IUPAC name of 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide (CID 76732438) is 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide.

What is the SMILES notation for 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide?

The canonical SMILES for 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide is CCN(CC)CCN1CN(c2ccccc2)C2(CCN(C(=O)C(Cc3ccc(OC)cc3)NC(=O)CCCCN)CC2)C1=O.

What is the InChIKey of 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide?

The InChIKey is VJFGCGLMKABLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N6O4/c1-4-37(5-2)23-24-39-26-40(28-11-7-6-8-12-28)34(33(39)43)18-21-38(22-19-34)32(42)30(36-31(41)13-9-10-20-35)25-27-14-16-29(44-3)17-15-27/h6-8,11-12,14-17,30H,4-5,9-10,13,18-26,35H2,1-3H3,(H,36,41).

What are the key properties of 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide?

5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide has a molecular weight of 606.81 g/mol, XLogP of 2.86, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[1-[3-[2-(diethylamino)ethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 76732438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).