(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

C18H24N2O3 — CID 95640677

IUPAC(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O3/c1-13-12-14-4-2-3-5-16(14)20(13)17(21)19-15-6-8-18(9-7-15)22-10-11-23-18/h2-5,13,15H,6-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyMTIWSUXMCQIRGM-CYBMUJFWSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds1

About (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide

(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 95640677) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID95640677
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@@H]1Cc2ccccc2N1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C18H24N2O3/c1-13-12-14-4-2-3-5-16(14)20(13)17(21)19-15-6-8-18(9-7-15)22-10-11-23-18/h2-5,13,15H,6-12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyMTIWSUXMCQIRGM-CYBMUJFWSA-N
XLogP2.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
N-(1-benzylpiperidin-3-yl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112824331
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109261707
(2R)-N-cyclopropyl-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 8619560
N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
(2R)-2-methyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7513834
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7549116
(2S)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7548134
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
(2S)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7215317

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide (CID 95640677) is (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is C[C@@H]1Cc2ccccc2N1C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is MTIWSUXMCQIRGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-12-14-4-2-3-5-16(14)20(13)17(21)19-15-6-8-18(9-7-15)22-10-11-23-18/h2-5,13,15H,6-12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide?
(2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 95640677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).