1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide

C17H25ClN2O3 — CID 110882396

IUPAC1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-19(2)17(22)16-8-5-9-20(16)10-14(21)12-23-11-13-6-3-4-7-15(13)18/h3-4,6-7,14,16,21H,5,8-12H2,1-2H3
InChIKeyFIDCSSRZHRJICB-UHFFFAOYSA-N
MW340.85 g/mol
LogP1.77
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 110882396) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID110882396
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-19(2)17(22)16-8-5-9-20(16)10-14(21)12-23-11-13-6-3-4-7-15(13)18/h3-4,6-7,14,16,21H,5,8-12H2,1-2H3
InChIKeyFIDCSSRZHRJICB-UHFFFAOYSA-N
XLogP1.77
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 110882396) is 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is FIDCSSRZHRJICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-19(2)17(22)16-8-5-9-20(16)10-14(21)12-23-11-13-6-3-4-7-15(13)18/h3-4,6-7,14,16,21H,5,8-12H2,1-2H3.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110882396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).