N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C12H22N2O4 — CID 62333500

IUPACN-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CC(C)O)CC1=O
InChIInChI=1S/C12H22N2O4/c1-9(15)7-13(2)12(17)10-6-11(16)14(8-10)4-5-18-3/h9-10,15H,4-8H2,1-3H3
InChIKeySPDZETWUCFRQGK-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.68
Rot. Bonds6

About N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 62333500) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID62333500
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CC(C)O)CC1=O
InChIInChI=1S/C12H22N2O4/c1-9(15)7-13(2)12(17)10-6-11(16)14(8-10)4-5-18-3/h9-10,15H,4-8H2,1-3H3
InChIKeySPDZETWUCFRQGK-UHFFFAOYSA-N
XLogP-0.68
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 62333500) is N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)N(C)CC(C)O)CC1=O.
What is the InChIKey of N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SPDZETWUCFRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(15)7-13(2)12(17)10-6-11(16)14(8-10)4-5-18-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 62333500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).