N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide

C26H32N4O4 — CID 110152508

IUPACN-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1
InChIInChI=1S/C26H32N4O4/c1-18(31)28-21-10-11-23(34-2)20(13-21)14-27-25(33)16-30-15-22(19-7-4-3-5-8-19)26(17-30)12-6-9-24(32)29-26/h3-5,7-8,10-11,13,22H,6,9,12,14-17H2,1-2H3,(H,27,33)(H,28,31)(H,29,32)/t22-,26+/m0/s1
InChIKeyDPQRAGGNEBURBX-BKMJKUGQSA-N
MW464.57 g/mol
LogP2.41
Rot. Bonds7

About N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide

N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 110152508) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID110152508
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1
InChIInChI=1S/C26H32N4O4/c1-18(31)28-21-10-11-23(34-2)20(13-21)14-27-25(33)16-30-15-22(19-7-4-3-5-8-19)26(17-30)12-6-9-24(32)29-26/h3-5,7-8,10-11,13,22H,6,9,12,14-17H2,1-2H3,(H,27,33)(H,28,31)(H,29,32)/t22-,26+/m0/s1
InChIKeyDPQRAGGNEBURBX-BKMJKUGQSA-N
XLogP2.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide (CID 110152508) is N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide is COc1ccc(NC(C)=O)cc1CNC(=O)CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1.
What is the InChIKey of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is DPQRAGGNEBURBX-BKMJKUGQSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18(31)28-21-10-11-23(34-2)20(13-21)14-27-25(33)16-30-15-22(19-7-4-3-5-8-19)26(17-30)12-6-9-24(32)29-26/h3-5,7-8,10-11,13,22H,6,9,12,14-17H2,1-2H3,(H,27,33)(H,28,31)(H,29,32)/t22-,26+/m0/s1.
What are the key properties of N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide?
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-2-methoxyphenyl)methyl]-2-[(4R,5S)-7-oxo-4-phenyl-2,6-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 110152508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).