N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H31N3O5 — CID 7916472

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OCC
InChIInChI=1S/C22H31N3O5/c1-3-29-17-9-8-16(14-18(17)30-4-2)10-13-23-19(26)15-25-20(27)22(24-21(25)28)11-6-5-7-12-22/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyUEENNOPBWIZBRZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.40
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 7916472) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID7916472
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OCC
InChIInChI=1S/C22H31N3O5/c1-3-29-17-9-8-16(14-18(17)30-4-2)10-13-23-19(26)15-25-20(27)22(24-21(25)28)11-6-5-7-12-22/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyUEENNOPBWIZBRZ-UHFFFAOYSA-N
XLogP2.40
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 175667223
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
N-[2-(4-aminophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 119548393
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410820
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 3585140
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17401180
(3R)-1-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 9306106
ethyl 2-[3-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 5199582

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 7916472) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UEENNOPBWIZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-3-29-17-9-8-16(14-18(17)30-4-2)10-13-23-19(26)15-25-20(27)22(24-21(25)28)11-6-5-7-12-22/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 7916472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).