N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide

C30H40N4O4 — CID 72618213

About N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide

N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide (PubChem CID 72618213) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide
• PubChem CID: 72618213
• Molecular Formula: C30H40N4O4
• Molecular Weight: 520.67 g/mol
• Exact Mass: 520.30
• IUPAC Name: N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide
• SMILES: COc1ccc(CN2CC3(CCN(CCC(NC(=O)N4CCOCC4)c4ccccc4)CC3)CC2=O)cc1
• InChI: InChI=1S/C30H40N4O4/c1-37-26-9-7-24(8-10-26)22-34-23-30(21-28(34)35)12-15-32(16-13-30)14-11-27(25-5-3-2-4-6-25)31-29(36)33-17-19-38-20-18-33/h2-10,27H,11-23H2,1H3,(H,31,36)
• InChIKey: YEIFTZXZMJVCGV-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.67
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide?

The IUPAC name of N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide (CID 72618213) is N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide?

The canonical SMILES for N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide is COc1ccc(CN2CC3(CCN(CCC(NC(=O)N4CCOCC4)c4ccccc4)CC3)CC2=O)cc1.

What is the InChIKey of N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide?

The InChIKey is YEIFTZXZMJVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-37-26-9-7-24(8-10-26)22-34-23-30(21-28(34)35)12-15-32(16-13-30)14-11-27(25-5-3-2-4-6-25)31-29(36)33-17-19-38-20-18-33/h2-10,27H,11-23H2,1H3,(H,31,36).

What are the key properties of N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide?

N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide has a molecular weight of 520.67 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]morpholine-4-carboxamide is sourced from PubChem (CID 72618213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).