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

C23H33N3O4 — CID 51585025

IUPAC2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C23H33N3O4/c1-15(2)18-9-8-16(3)13-19(18)30-12-11-24-20(27)14-26-21(28)23(25-22(26)29)10-6-5-7-17(23)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,24,27)(H,25,29)/t17-,23-/m1/s1
InChIKeyRFVYAHAEOWIJMR-UZUQRXQVSA-N
MW415.53 g/mol
LogP3.11
Rot. Bonds7

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

2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide (PubChem CID 51585025) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide
PubChem CID51585025
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide
SMILESCc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1
InChIInChI=1S/C23H33N3O4/c1-15(2)18-9-8-16(3)13-19(18)30-12-11-24-20(27)14-26-21(28)23(25-22(26)29)10-6-5-7-17(23)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,24,27)(H,25,29)/t17-,23-/m1/s1
InChIKeyRFVYAHAEOWIJMR-UZUQRXQVSA-N
XLogP3.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(2,3,5-trimethylphenoxy)propyl]acetamide
CID 8571975
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8572080
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
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
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 51647046
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11925986
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
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-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-[2-(2-methoxyphenyl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 40895735
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586

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-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide (CID 51585025) is 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]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-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide is Cc1ccc(C(C)C)c(OCCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1.
What is the InChIKey of 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide?
The InChIKey is RFVYAHAEOWIJMR-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-15(2)18-9-8-16(3)13-19(18)30-12-11-24-20(27)14-26-21(28)23(25-22(26)29)10-6-5-7-17(23)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,24,27)(H,25,29)/t17-,23-/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-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide?
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide has a molecular weight of 415.53 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(5-methyl-2-propan-2-ylphenoxy)ethyl]acetamide is sourced from PubChem (CID 51585025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).