N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide

C20H29N3O2 — CID 124758025

IUPACN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCC3(CC2)CNC(=O)C3)cc1
InChIInChI=1S/C20H29N3O2/c1-3-15(2)16-4-6-17(7-5-16)22-19(25)13-23-10-8-20(9-11-23)12-18(24)21-14-20/h4-7,15H,3,8-14H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyXLRSXVLWOOXJKT-HNNXBMFYSA-N
MW343.47 g/mol
LogP2.74
Rot. Bonds5

About N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide

N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide (PubChem CID 124758025) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
PubChem CID124758025
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)CN2CCC3(CC2)CNC(=O)C3)cc1
InChIInChI=1S/C20H29N3O2/c1-3-15(2)16-4-6-17(7-5-16)22-19(25)13-23-10-8-20(9-11-23)12-18(24)21-14-20/h4-7,15H,3,8-14H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyXLRSXVLWOOXJKT-HNNXBMFYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113960
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-butan-2-ylphenyl)acetamide;hydrochloride
CID 120772283
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-(4-butan-2-ylphenyl)-2-[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]acetamide
CID 50982416
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2653101
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259822
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735
N-[4-[(2R)-butan-2-yl]phenyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993890
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 95123399
N-(4-butan-2-ylphenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 78899808
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide (CID 124758025) is N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide is CC[C@H](C)c1ccc(NC(=O)CN2CCC3(CC2)CNC(=O)C3)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is XLRSXVLWOOXJKT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-15(2)16-4-6-17(7-5-16)22-19(25)13-23-10-8-20(9-11-23)12-18(24)21-14-20/h4-7,15H,3,8-14H2,1-2H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide?
N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 124758025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).