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

C21H29N3O3 — CID 7923789

IUPACN-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O
InChIInChI=1S/C21H29N3O3/c1-5-15-8-6-7-9-16(15)22-17(25)12-24-18(26)21(23-19(24)27)11-14(2)10-20(3,4)13-21/h6-9,14H,5,10-13H2,1-4H3,(H,22,25)(H,23,27)/t14-,21+/m1/s1
InChIKeyONKKVLGMTHCMMV-SZNDQCEHSA-N
MW371.48 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 7923789) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID7923789
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O
InChIInChI=1S/C21H29N3O3/c1-5-15-8-6-7-9-16(15)22-17(25)12-24-18(26)21(23-19(24)27)11-14(2)10-20(3,4)13-21/h6-9,14H,5,10-13H2,1-4H3,(H,22,25)(H,23,27)/t14-,21+/m1/s1
InChIKeyONKKVLGMTHCMMV-SZNDQCEHSA-N
XLogP3.32
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 ≤ 53.32
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

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
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-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
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-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
N-(1H-indazol-7-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46542702
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-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061
N-(2,4-dimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579563

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 7923789) is N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCc1ccccc1NC(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is ONKKVLGMTHCMMV-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-15-8-6-7-9-16(15)22-17(25)12-24-18(26)21(23-19(24)27)11-14(2)10-20(3,4)13-21/h6-9,14H,5,10-13H2,1-4H3,(H,22,25)(H,23,27)/t14-,21+/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 7923789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).