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

C21H29N3O3 — CID 7265503

IUPAC2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C21H29N3O3/c1-13(2)16-10-7-8-14(3)18(16)22-17(25)12-24-19(26)21(23-20(24)27)11-6-5-9-15(21)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,22,25)(H,23,27)/t15-,21-/m1/s1
InChIKeyRIENZBJCJXNXLO-QVKFZJNVSA-N
MW371.48 g/mol
LogP3.56
Rot. Bonds4

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

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 7265503) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID7265503
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C21H29N3O3/c1-13(2)16-10-7-8-14(3)18(16)22-17(25)12-24-19(26)21(23-20(24)27)11-6-5-9-15(21)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,22,25)(H,23,27)/t15-,21-/m1/s1
InChIKeyRIENZBJCJXNXLO-QVKFZJNVSA-N
XLogP3.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylphenyl)acetamide
CID 2703483
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571576
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11934546
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 17397670
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-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955531
2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7265457
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
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 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 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) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is RIENZBJCJXNXLO-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13(2)16-10-7-8-14(3)18(16)22-17(25)12-24-19(26)21(23-20(24)27)11-6-5-9-15(21)4/h7-8,10,13,15H,5-6,9,11-12H2,1-4H3,(H,22,25)(H,23,27)/t15-,21-/m1/s1.
What are the key properties of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7265503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).