N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide

C21H29N3O3 — CID 55587303

IUPACN-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCCN(CCc1ccccc1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-23(15-12-17-10-6-4-7-11-17)18(25)16-24-19(26)21(22(2)20(24)27)13-8-5-9-14-21/h4,6-7,10-11H,3,5,8-9,12-16H2,1-2H3
InChIKeyIUPXBVLEFDSZNR-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.67
Rot. Bonds6

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

N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 55587303) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID55587303
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
SMILESCCN(CCc1ccccc1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-3-23(15-12-17-10-6-4-7-11-17)18(25)16-24-19(26)21(22(2)20(24)27)13-8-5-9-14-21/h4,6-7,10-11H,3,5,8-9,12-16H2,1-2H3
InChIKeyIUPXBVLEFDSZNR-UHFFFAOYSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-phenylacetamide
CID 31927853
N-ethyl-N-(4-fluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51196261
N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55447252
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
CID 2536296
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
1-amino-N-ethyl-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 60947468
N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626273
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24551735
N-(1-aminopropan-2-yl)-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119584058
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide (CID 55587303) is N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide is CCN(CCc1ccccc1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is IUPXBVLEFDSZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-23(15-12-17-10-6-4-7-11-17)18(25)16-24-19(26)21(22(2)20(24)27)13-8-5-9-14-21/h4,6-7,10-11H,3,5,8-9,12-16H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide?
N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).