2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

C20H28N2O3 — CID 134074488

IUPAC2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCN(C)C(=O)C1CC2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C20H28N2O3/c1-21(9-10-24-2)19(23)18-11-20(14-25-18)17-6-4-3-5-16(17)13-22(20)12-15-7-8-15/h3-6,15,18H,7-14H2,1-2H3
InChIKeyIMSJKCLPGVSZRD-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.00
Rot. Bonds6

About 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide

2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (PubChem CID 134074488) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
PubChem CID134074488
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
SMILESCOCCN(C)C(=O)C1CC2(CO1)c1ccccc1CN2CC1CC1
InChIInChI=1S/C20H28N2O3/c1-21(9-10-24-2)19(23)18-11-20(14-25-18)17-6-4-3-5-16(17)13-22(20)12-15-7-8-15/h3-6,15,18H,7-14H2,1-2H3
InChIKeyIMSJKCLPGVSZRD-UHFFFAOYSA-N
XLogP2.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide (CID 134074488) is 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is COCCN(C)C(=O)C1CC2(CO1)c1ccccc1CN2CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
The InChIKey is IMSJKCLPGVSZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21(9-10-24-2)19(23)18-11-20(14-25-18)17-6-4-3-5-16(17)13-22(20)12-15-7-8-15/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide?
2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-N-(2-methoxyethyl)-N-methylspiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide is sourced from PubChem (CID 134074488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).