N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C23H33N3O5 — CID 2083905

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCC
InChIInChI=1S/C23H33N3O5/c1-4-30-18-7-6-17(14-19(18)31-5-2)10-13-24-20(27)15-26-21(28)23(25-22(26)29)11-8-16(3)9-12-23/h6-7,14,16H,4-5,8-13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyFPCXAXVENJDMRZ-UHFFFAOYSA-N
MW431.53 g/mol
LogP2.64
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 2083905) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID2083905
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCC
InChIInChI=1S/C23H33N3O5/c1-4-30-18-7-6-17(14-19(18)31-5-2)10-13-24-20(27)15-26-21(28)23(25-22(26)29)11-8-16(3)9-12-23/h6-7,14,16H,4-5,8-13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyFPCXAXVENJDMRZ-UHFFFAOYSA-N
XLogP2.64
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.64
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

RA Vii
CID 3034401
24-Methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
CID 329495
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 2969145
N-{1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2,5-dioxo-4-trifluoromethyl-imidazolidin-4-yl}-3-methyl-butyramide
CID 3651967
2,4-Imidazolidinedione, 5-((3,4-dimethoxyphenyl)methyl)-5-methyl-
CID 120830
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622634
1-Cyclohexyl-3-((3,4-dimethoxyphenethyl)amino)pyrrolidine-2,5-dione
CID 2972070
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-2-pyrrolidinylacetamide
CID 3114038
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 16273759
(1S,4R,7S,10S,13S,16S)-10-[(4-ethenylphenyl)methyl]-24-methoxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
CID 10557096
(1S,4R,7S,10S,13S,16S)-24-methoxy-4,7,9,13,15,29-hexamethyl-10-[(4-propylphenyl)methyl]-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
CID 10581096

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 2083905) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCOc1ccc(CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is FPCXAXVENJDMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-4-30-18-7-6-17(14-19(18)31-5-2)10-13-24-20(27)15-26-21(28)23(25-22(26)29)11-8-16(3)9-12-23/h6-7,14,16H,4-5,8-13,15H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 431.53 g/mol, XLogP of 2.64, 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-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 2083905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).