N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide

C20H28N2O6 — CID 113130107

IUPACN-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide
SMILESCOc1ccc(N(CCC(=O)N2CCC3(CC2)OCCO3)C(C)=O)c(OC)c1
InChIInChI=1S/C20H28N2O6/c1-15(23)22(17-5-4-16(25-2)14-18(17)26-3)9-6-19(24)21-10-7-20(8-11-21)27-12-13-28-20/h4-5,14H,6-13H2,1-3H3
InChIKeyIDLZBEUKYIFKBH-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.81
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide

N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide (PubChem CID 113130107) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide
PubChem CID113130107
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC NameN-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide
SMILESCOc1ccc(N(CCC(=O)N2CCC3(CC2)OCCO3)C(C)=O)c(OC)c1
InChIInChI=1S/C20H28N2O6/c1-15(23)22(17-5-4-16(25-2)14-18(17)26-3)9-6-19(24)21-10-7-20(8-11-21)27-12-13-28-20/h4-5,14H,6-13H2,1-3H3
InChIKeyIDLZBEUKYIFKBH-UHFFFAOYSA-N
XLogP1.81
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109028411
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113180332
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethoxyphenyl)methanesulfonamide
CID 113145157
N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113165586
[3-(2,4-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42759085
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 38375787
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113134403
3-(N-acetyl-2,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130062
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120592
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide (CID 113130107) is N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide is COc1ccc(N(CCC(=O)N2CCC3(CC2)OCCO3)C(C)=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide?
The InChIKey is IDLZBEUKYIFKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-15(23)22(17-5-4-16(25-2)14-18(17)26-3)9-6-19(24)21-10-7-20(8-11-21)27-12-13-28-20/h4-5,14H,6-13H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide?
N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide has a molecular weight of 392.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113130107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).