N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

C21H28N4O4 — CID 7181691

IUPACN-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C
InChIInChI=1S/C21H28N4O4/c1-13-7-6-9-16(15(13)3)23-17(26)11-22-18(27)12-25-19(28)21(24-20(25)29)10-5-4-8-14(21)2/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,29)/t14-,21+/m1/s1
InChIKeyLBRGSPZGFRWORK-SZNDQCEHSA-N
MW400.48 g/mol
LogP1.86
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (PubChem CID 7181691) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
PubChem CID7181691
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C
InChIInChI=1S/C21H28N4O4/c1-13-7-6-9-16(15(13)3)23-17(26)11-22-18(27)12-25-19(28)21(24-20(25)29)10-5-4-8-14(21)2/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,29)/t14-,21+/m1/s1
InChIKeyLBRGSPZGFRWORK-SZNDQCEHSA-N
XLogP1.86
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-[[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 24982393
N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9474289
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7479919
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
N-(2-tert-butylphenyl)-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2643710
N-(2-bromophenyl)-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703598
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
N-tert-butyl-2-[[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 25397724
N-[2-(dimethylamino)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43063970
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7265503
N-(5-chloro-2-methylphenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4797462

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide (CID 7181691) is N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is Cc1cccc(NC(=O)CNC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
The InChIKey is LBRGSPZGFRWORK-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-13-7-6-9-16(15(13)3)23-17(26)11-22-18(27)12-25-19(28)21(24-20(25)29)10-5-4-8-14(21)2/h6-7,9,14H,4-5,8,10-12H2,1-3H3,(H,22,27)(H,23,26)(H,24,29)/t14-,21+/m1/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide is sourced from PubChem (CID 7181691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).