N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H26N4O6 — CID 55744262

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCC(N)=O
InChIInChI=1S/C20H26N4O6/c1-23-19(28)24(18(27)20(23)8-4-3-5-9-20)11-17(26)22-13-6-7-14(29-2)15(10-13)30-12-16(21)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyMSCNWYMPGNJXDV-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.09
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55744262) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55744262
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCC(N)=O
InChIInChI=1S/C20H26N4O6/c1-23-19(28)24(18(27)20(23)8-4-3-5-9-20)11-17(26)22-13-6-7-14(29-2)15(10-13)30-12-16(21)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,26)
InChIKeyMSCNWYMPGNJXDV-UHFFFAOYSA-N
XLogP1.09
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43069799
N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
N-(3-chloro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7535920
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55744262) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is MSCNWYMPGNJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-23-19(28)24(18(27)20(23)8-4-3-5-9-20)11-17(26)22-13-6-7-14(29-2)15(10-13)30-12-16(21)25/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H2,21,25)(H,22,26).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 418.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55744262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).