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

C22H32N4O3 — CID 11925986

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1cccc(C)c1
InChIInChI=1S/C22H32N4O3/c1-4-25(18-10-7-8-16(2)14-18)13-12-23-19(27)15-26-20(28)22(24-21(26)29)11-6-5-9-17(22)3/h7-8,10,14,17H,4-6,9,11-13,15H2,1-3H3,(H,23,27)(H,24,29)/t17-,22-/m0/s1
InChIKeyDMRRAWCZRJUNQG-JTSKRJEESA-N
MW400.52 g/mol
LogP2.44
Rot. Bonds7

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

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 11925986) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID11925986
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1cccc(C)c1
InChIInChI=1S/C22H32N4O3/c1-4-25(18-10-7-8-16(2)14-18)13-12-23-19(27)15-26-20(28)22(24-21(26)29)11-6-5-9-17(22)3/h7-8,10,14,17H,4-6,9,11-13,15H2,1-3H3,(H,23,27)(H,24,29)/t17-,22-/m0/s1
InChIKeyDMRRAWCZRJUNQG-JTSKRJEESA-N
XLogP2.44
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7626293
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-phenoxyethyl)acetamide
CID 8521724
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
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-methylphenyl)acetamide
CID 2703485
N-(3,5-dimethylphenyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703524
(3-methylphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480653
N-[2-(4-chlorophenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703346
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-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 2604082

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 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) is N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCN(CCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is DMRRAWCZRJUNQG-JTSKRJEESA-N. The full InChI is InChI=1S/C22H32N4O3/c1-4-25(18-10-7-8-16(2)14-18)13-12-23-19(27)15-26-20(28)22(24-21(26)29)11-6-5-9-17(22)3/h7-8,10,14,17H,4-6,9,11-13,15H2,1-3H3,(H,23,27)(H,24,29)/t17-,22-/m0/s1.
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 11925986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).