1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide

C17H26N2O3 — CID 154742987

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide
SMILESCOCC1(C(N)=O)CCCN1CCOc1c(C)cccc1C
InChIInChI=1S/C17H26N2O3/c1-13-6-4-7-14(2)15(13)22-11-10-19-9-5-8-17(19,12-21-3)16(18)20/h4,6-7H,5,8-12H2,1-3H3,(H2,18,20)
InChIKeyAQKQPVXXBDTBSJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.65
Rot. Bonds7

About 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide

1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide (PubChem CID 154742987) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide
PubChem CID154742987
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide
SMILESCOCC1(C(N)=O)CCCN1CCOc1c(C)cccc1C
InChIInChI=1S/C17H26N2O3/c1-13-6-4-7-14(2)15(13)22-11-10-19-9-5-8-17(19,12-21-3)16(18)20/h4,6-7H,5,8-12H2,1-3H3,(H2,18,20)
InChIKeyAQKQPVXXBDTBSJ-UHFFFAOYSA-N
XLogP1.65
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide (CID 154742987) is 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide is COCC1(C(N)=O)CCCN1CCOc1c(C)cccc1C.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide?
The InChIKey is AQKQPVXXBDTBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-6-4-7-14(2)15(13)22-11-10-19-9-5-8-17(19,12-21-3)16(18)20/h4,6-7H,5,8-12H2,1-3H3,(H2,18,20).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide?
1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-2-(methoxymethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154742987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).