N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

C24H28N2O4 — CID 1249916

IUPACN,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C24H28N2O4/c1-4-25(5-2)21(27)15-26-20-14-10-9-13-19(20)24(22(26)28)29-16-23(3,17-30-24)18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3
InChIKeyPFDQHCCXBOSNHD-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.06
Rot. Bonds5

About N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide

N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (PubChem CID 1249916) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
PubChem CID1249916
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide
SMILESCCN(CC)C(=O)CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21
InChIInChI=1S/C24H28N2O4/c1-4-25(5-2)21(27)15-26-20-14-10-9-13-19(20)24(22(26)28)29-16-23(3,17-30-24)18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3
InChIKeyPFDQHCCXBOSNHD-UHFFFAOYSA-N
XLogP3.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trispiro[indole-3,2'-[1,3]dioxane-5',5''-[1,3]dioxane-2'',3'''-indole]-2,2'''(1H,1'''H)-dione
CID 644733
5,5-dimethylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 609514
1'-Allyl-5'-methylspiro[[1,3]dioxane-2,3'-indolin]-2'-one
CID 781761
13-Methyl-7-prop-2-enylspiro[1,3-dioxane-2,3'-indoline]-8-one
CID 2986591
(5'-methyl-2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetonitrile
CID 16456966
5,5-dimethyl-1'-(4-morpholinylmethyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 568007
5-ethyl-5-methylspiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 577292
1'-(2-Oxo-2-phenylethyl)spiro[[1,3]dioxolane-2,3'-indolin]-2'-one
CID 691242
1'-(2-oxopentyl)spiro[1,3-dioxolane-2,3'-indol]-2'(1'H)-one
CID 3245741
1',5-dimethyl-5-nitrospiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
CID 4036780
1'-(2-(4-Fluorophenyl)-2-oxoethyl)-spiro[[1,3]-dioxolane-2,3'-indolin]-2'-one
CID 3239023
N-(4-methylbenzyl)-2-(2'-oxospiro[1,3-dioxane-2,3'-indol]-1'(2'H)-yl)acetamide
CID 3239679

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide (CID 1249916) is N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is CCN(CC)C(=O)CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21.
What is the InChIKey of N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
The InChIKey is PFDQHCCXBOSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-25(5-2)21(27)15-26-20-14-10-9-13-19(20)24(22(26)28)29-16-23(3,17-30-24)18-11-7-6-8-12-18/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide?
N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methyl-2'-oxo-5-phenylspiro[1,3-dioxane-2,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 1249916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).