N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide

C27H39N5O4 — CID 41183692

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1C
InChIInChI=1S/C27H39N5O4/c1-18-13-26(4,5)17-27(14-18)24(35)32(25(36)29-27)16-23(34)31-11-9-30(10-12-31)15-22(33)28-21-8-6-7-19(2)20(21)3/h6-8,18H,9-17H2,1-5H3,(H,28,33)(H,29,36)/t18-,27-/m1/s1
InChIKeyWRNHTXUYSGZERJ-DNOBIOAJSA-N
MW497.64 g/mol
LogP2.52
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 41183692) has the molecular formula C27H39N5O4 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide
PubChem CID41183692
Molecular FormulaC27H39N5O4
Molecular Weight497.64 g/mol
Exact Mass497.30
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1C
InChIInChI=1S/C27H39N5O4/c1-18-13-26(4,5)17-27(14-18)24(35)32(25(36)29-27)16-23(34)31-11-9-30(10-12-31)15-22(33)28-21-8-6-7-19(2)20(21)3/h6-8,18H,9-17H2,1-5H3,(H,28,33)(H,29,36)/t18-,27-/m1/s1
InChIKeyWRNHTXUYSGZERJ-DNOBIOAJSA-N
XLogP2.52
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
N-(1H-indazol-7-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46542702
3-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46663950
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
(5S,9R)-7,7,9-trimethyl-3-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31288417
N-(1,3-benzodioxol-4-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86787065
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 38713084
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 43013195
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide (CID 41183692) is N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)CN3C(=O)N[C@@]4(C[C@H](C)CC(C)(C)C4)C3=O)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is WRNHTXUYSGZERJ-DNOBIOAJSA-N. The full InChI is InChI=1S/C27H39N5O4/c1-18-13-26(4,5)17-27(14-18)24(35)32(25(36)29-27)16-23(34)31-11-9-30(10-12-31)15-22(33)28-21-8-6-7-19(2)20(21)3/h6-8,18H,9-17H2,1-5H3,(H,28,33)(H,29,36)/t18-,27-/m1/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 497.64 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 41183692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).