N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C18H24N2O3 — CID 112523463

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C18H24N2O3/c1-20-9-6-14-12-15(2-3-16(14)20)19-17(21)13-4-7-18(8-5-13)22-10-11-23-18/h2-3,12-13H,4-11H2,1H3,(H,19,21)
InChIKeyBCGWDZFNPXFFJY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.55
Rot. Bonds2

About N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112523463) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112523463
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCC4(CC3)OCCO4)ccc21
InChIInChI=1S/C18H24N2O3/c1-20-9-6-14-12-15(2-3-16(14)20)19-17(21)13-4-7-18(8-5-13)22-10-11-23-18/h2-3,12-13H,4-11H2,1H3,(H,19,21)
InChIKeyBCGWDZFNPXFFJY-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 24637683
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
CID 78004870
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclohexanecarboxamide
CID 16942823
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 168523549

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112523463) is N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is CN1CCc2cc(NC(=O)C3CCC4(CC3)OCCO4)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is BCGWDZFNPXFFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-9-6-14-12-15(2-3-16(14)20)19-17(21)13-4-7-18(8-5-13)22-10-11-23-18/h2-3,12-13H,4-11H2,1H3,(H,19,21).
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112523463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).