(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

C22H26N2O3 — CID 97439490

IUPAC(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-26-12-11-23-21(25)20-13-22(16-27-20)19-10-6-5-9-18(19)15-24(22)14-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3,(H,23,25)/t20-,22+/m0/s1
InChIKeyCWYFGOKHCONNLC-RBBKRZOGSA-N
MW366.46 g/mol
LogP2.45
Rot. Bonds6

About (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (PubChem CID 97439490) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
PubChem CID97439490
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-26-12-11-23-21(25)20-13-22(16-27-20)19-10-6-5-9-18(19)15-24(22)14-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3,(H,23,25)/t20-,22+/m0/s1
InChIKeyCWYFGOKHCONNLC-RBBKRZOGSA-N
XLogP2.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439480
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
(2'R,3S)-2-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439483
N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
CID 134075858
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
(2'S,3R)-N-[2-(dimethylamino)ethyl]-1-methylspiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 98781644
(3aS,4S,7aS)-6-benzyl-N-(2-methoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824688
(3S)-1-benzyl-N-[3-(2-methoxyethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 95284860

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (CID 97439490) is (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is COCCNC(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1CN2Cc1ccccc1.
What is the InChIKey of (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is CWYFGOKHCONNLC-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-12-11-23-21(25)20-13-22(16-27-20)19-10-6-5-9-18(19)15-24(22)14-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3,(H,23,25)/t20-,22+/m0/s1.
What are the key properties of (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 97439490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).