1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C29H38N4O — CID 130244224

About 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130244224) has the molecular formula C29H38N4O and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 130244224
• Molecular Formula: C29H38N4O
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.30
• IUPAC Name: 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: C=Nc1ccc(N2CC3(CCC(c4ccccc4)(N(C)CC)CC3)N(CC3CCC3)C2=O)cc1
• InChI: InChI=1S/C29H38N4O/c1-4-31(3)29(24-11-6-5-7-12-24)19-17-28(18-20-29)22-32(26-15-13-25(30-2)14-16-26)27(34)33(28)21-23-9-8-10-23/h5-7,11-16,23H,2,4,8-10,17-22H2,1,3H3
• InChIKey: VDEPUXWMMQJVPR-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 39.15 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130244224) is 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is C=Nc1ccc(N2CC3(CCC(c4ccccc4)(N(C)CC)CC3)N(CC3CCC3)C2=O)cc1.

What is the InChIKey of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is VDEPUXWMMQJVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O/c1-4-31(3)29(24-11-6-5-7-12-24)19-17-28(18-20-29)22-32(26-15-13-25(30-2)14-16-26)27(34)33(28)21-23-9-8-10-23/h5-7,11-16,23H,2,4,8-10,17-22H2,1,3H3.

What are the key properties of 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 458.65 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-3-[4-(methylideneamino)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130244224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).