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

C20H26N4O4 — CID 9474289

IUPACN-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C
InChIInChI=1S/C20H26N4O4/c1-12-7-6-9-15(14(12)3)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)10-5-4-8-13(20)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,23,28)(H2,21,22,25,27)/t13-,20-/m1/s1
InChIKeyLIXOSAZICXWJFU-ZUOKHONESA-N
MW386.45 g/mol
LogP2.45
Rot. Bonds3

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

N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 9474289) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID9474289
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C
InChIInChI=1S/C20H26N4O4/c1-12-7-6-9-15(14(12)3)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)10-5-4-8-13(20)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,23,28)(H2,21,22,25,27)/t13-,20-/m1/s1
InChIKeyLIXOSAZICXWJFU-ZUOKHONESA-N
XLogP2.45
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.45
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)-2-[[2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 7181691
[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
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371
N-[2-(dimethylamino)phenyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43063970
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-[(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
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 17397670
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40881474
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 3900680

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 9474289) is N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is LIXOSAZICXWJFU-ZUOKHONESA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12-7-6-9-15(14(12)3)21-18(27)22-16(25)11-24-17(26)20(23-19(24)28)10-5-4-8-13(20)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,23,28)(H2,21,22,25,27)/t13-,20-/m1/s1.
What are the key properties of N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)carbamoyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 9474289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).