(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C23H24N2O4 — CID 20954567

IUPAC(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1Cc2ccccc2N1C(=O)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H24N2O4/c26-21(17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)16-20(25)22(27)24-12-10-23(11-13-24)28-14-15-29-23/h1-9,20H,10-16H2
InChIKeyIXZDSNLNOIAHIQ-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.62
Rot. Bonds2

About (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 20954567) has the molecular formula C23H24N2O4 and a molecular weight of 392.45 g/mol. Its IUPAC name is (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID20954567
Molecular FormulaC23H24N2O4
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1Cc2ccccc2N1C(=O)c1ccccc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C23H24N2O4/c26-21(17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)16-20(25)22(27)24-12-10-23(11-13-24)28-14-15-29-23/h1-9,20H,10-16H2
InChIKeyIXZDSNLNOIAHIQ-UHFFFAOYSA-N
XLogP2.62
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzoyl-2,3-dihydroindol-2-yl)-morpholin-4-ylmethanone
CID 20954563
[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 92710287
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109261707
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677758
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109173968
(2S)-1-(3-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 28978868

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 20954567) is (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(C1Cc2ccccc2N1C(=O)c1ccccc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is IXZDSNLNOIAHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(17-6-2-1-3-7-17)25-19-9-5-4-8-18(19)16-20(25)22(27)24-12-10-23(11-13-24)28-14-15-29-23/h1-9,20H,10-16H2.
What are the key properties of (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 392.45 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-2,3-dihydroindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 20954567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).