N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide

C27H33N5O4 — CID 46508658

About N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide

N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide (PubChem CID 46508658) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
• PubChem CID: 46508658
• Molecular Formula: C27H33N5O4
• Molecular Weight: 491.59 g/mol
• Exact Mass: 491.25
• IUPAC Name: N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
• SMILES: CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C(C)c1cccc(NC(=O)c3ccccc3)c1)C2=O
• InChI: InChI=1S/C27H33N5O4/c1-18-12-14-27(15-13-18)25(35)32(26(36)29-27)30-23(33)17-31(3)19(2)21-10-7-11-22(16-21)28-24(34)20-8-5-4-6-9-20/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,28,34)(H,29,36)(H,30,33)
• InChIKey: IGSVRXDUMSCBRH-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 110.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.59
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide?

The IUPAC name of N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide (CID 46508658) is N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide.

What is the SMILES notation for N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide?

The canonical SMILES for N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C(C)c1cccc(NC(=O)c3ccccc3)c1)C2=O.

What is the InChIKey of N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide?

The InChIKey is IGSVRXDUMSCBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-18-12-14-27(15-13-18)25(35)32(26(36)29-27)30-23(33)17-31(3)19(2)21-10-7-11-22(16-21)28-24(34)20-8-5-4-6-9-20/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,28,34)(H,29,36)(H,30,33).

What are the key properties of N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide?

N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 491.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46508658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).