N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C17H30N2O4 — CID 50973817

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(C)CC2(CO)CCOCC2)CC1=O
InChIInChI=1S/C17H30N2O4/c1-13(2)9-19-10-14(8-15(19)21)16(22)18(3)11-17(12-20)4-6-23-7-5-17/h13-14,20H,4-12H2,1-3H3
InChIKeyORPDPARPLCTZTH-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.74
Rot. Bonds6

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50973817) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50973817
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)N(C)CC2(CO)CCOCC2)CC1=O
InChIInChI=1S/C17H30N2O4/c1-13(2)9-19-10-14(8-15(19)21)16(22)18(3)11-17(12-20)4-6-23-7-5-17/h13-14,20H,4-12H2,1-3H3
InChIKeyORPDPARPLCTZTH-UHFFFAOYSA-N
XLogP0.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50973817) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)N(C)CC2(CO)CCOCC2)CC1=O.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ORPDPARPLCTZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-13(2)9-19-10-14(8-15(19)21)16(22)18(3)11-17(12-20)4-6-23-7-5-17/h13-14,20H,4-12H2,1-3H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50973817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).