N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide

C21H31N3O3 — CID 110130343

IUPACN-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(CCN2CCC3(CC2)CC(NC(C)=O)CN3C(C)=O)cc1
InChIInChI=1S/C21H31N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)9-12-23(13-10-21)11-8-18-4-6-20(27-3)7-5-18/h4-7,19H,8-15H2,1-3H3,(H,22,25)
InChIKeyOJTIOSTXSZQDHC-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.83
Rot. Bonds5

About N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide

N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 110130343) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID110130343
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCOc1ccc(CCN2CCC3(CC2)CC(NC(C)=O)CN3C(C)=O)cc1
InChIInChI=1S/C21H31N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)9-12-23(13-10-21)11-8-18-4-6-20(27-3)7-5-18/h4-7,19H,8-15H2,1-3H3,(H,22,25)
InChIKeyOJTIOSTXSZQDHC-UHFFFAOYSA-N
XLogP1.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

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Related Compounds

N-[1-acetyl-8-(3-phenylpropanoyl)-1,8-diazaspiro[4.5]decan-3-yl]acetamide
CID 110130879
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
(1-hydroxycyclopentyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110908412
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
(1S,4S)-3-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 149067855
(2S)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]propanamide
CID 94797572

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide (CID 110130343) is N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide is COc1ccc(CCN2CCC3(CC2)CC(NC(C)=O)CN3C(C)=O)cc1.
What is the InChIKey of N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is OJTIOSTXSZQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(25)22-19-14-21(24(15-19)17(2)26)9-12-23(13-10-21)11-8-18-4-6-20(27-3)7-5-18/h4-7,19H,8-15H2,1-3H3,(H,22,25).
What are the key properties of N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide?
N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-8-[2-(4-methoxyphenyl)ethyl]-1,8-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 110130343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).