2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

C21H29N3O3 — CID 41046411

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C21H29N3O3/c1-3-16-8-10-17(11-9-16)15(2)22-18(25)14-24-19(26)21(23-20(24)27)12-6-4-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyQSQNJCXZLYPAEV-HNNXBMFYSA-N
MW371.48 g/mol
LogP3.07
Rot. Bonds5

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 41046411) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID41046411
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C21H29N3O3/c1-3-16-8-10-17(11-9-16)15(2)22-18(25)14-24-19(26)21(23-20(24)27)12-6-4-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1
InChIKeyQSQNJCXZLYPAEV-HNNXBMFYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.07
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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7277395
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7618408
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610694
N-[1-(4-methoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892529
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2092207
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]propanoic acid
CID 119349083
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 42978759
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 31286642
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 51486000
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 7594709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (CID 41046411) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@H](C)NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is QSQNJCXZLYPAEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-16-8-10-17(11-9-16)15(2)22-18(25)14-24-19(26)21(23-20(24)27)12-6-4-5-7-13-21/h8-11,15H,3-7,12-14H2,1-2H3,(H,22,25)(H,23,27)/t15-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 41046411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).