(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

C18H24N2O2 — CID 97439480

IUPAC(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C18H24N2O2/c1-19(2)17(21)16-9-18(12-22-16)15-6-4-3-5-14(15)11-20(18)10-13-7-8-13/h3-6,13,16H,7-12H2,1-2H3/t16-,18-/m0/s1
InChIKeySGABDRIUJQELFB-WMZOPIPTSA-N
MW300.40 g/mol
LogP1.98
Rot. Bonds3

About (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (PubChem CID 97439480) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
PubChem CID97439480
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C18H24N2O2/c1-19(2)17(21)16-9-18(12-22-16)15-6-4-3-5-14(15)11-20(18)10-13-7-8-13/h3-6,13,16H,7-12H2,1-2H3/t16-,18-/m0/s1
InChIKeySGABDRIUJQELFB-WMZOPIPTSA-N
XLogP1.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (CID 97439480) is (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is CN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1CN2CC1CC1.
What is the InChIKey of (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is SGABDRIUJQELFB-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19(2)17(21)16-9-18(12-22-16)15-6-4-3-5-14(15)11-20(18)10-13-7-8-13/h3-6,13,16H,7-12H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
(2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2-(cyclopropylmethyl)-N,N-dimethylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 97439480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).