(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

C17H25N3O2 — CID 98781644

IUPAC(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C)c1ccccc12
InChIInChI=1S/C17H25N3O2/c1-19(2)9-8-18-16(21)15-10-17(12-22-15)11-20(3)14-7-5-4-6-13(14)17/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-,17+/m0/s1
InChIKeyGKQWKTVFGSJBKW-DOTOQJQBSA-N
MW303.41 g/mol
LogP0.84
Rot. Bonds4

About (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide

(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (PubChem CID 98781644) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
PubChem CID98781644
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
SMILESCN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C)c1ccccc12
InChIInChI=1S/C17H25N3O2/c1-19(2)9-8-18-16(21)15-10-17(12-22-15)11-20(3)14-7-5-4-6-13(14)17/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-,17+/m0/s1
InChIKeyGKQWKTVFGSJBKW-DOTOQJQBSA-N
XLogP0.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781646
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
N-benzyl-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131640592
(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440045
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131643036
N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131641908
(2'R,3R)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440101
1-acetyl-N-cyclopentylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 134076938
(2'R,3S)-1-[(4-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 124522503
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
N-[2-(dimethylamino)ethyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 110702966

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide (CID 98781644) is (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is CN(C)CCNC(=O)[C@@H]1C[C@]2(CO1)CN(C)c1ccccc12.
What is the InChIKey of (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is GKQWKTVFGSJBKW-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19(2)9-8-18-16(21)15-10-17(12-22-15)11-20(3)14-7-5-4-6-13(14)17/h4-7,15H,8-12H2,1-3H3,(H,18,21)/t15-,17+/m0/s1.
What are the key properties of (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide?
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 98781644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).