N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

C16H28N4O4 — CID 91100856

IUPACN-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C16H28N4O4/c1-11(2)13(18-16(23)19-7-9-24-10-8-19)15(22)20-6-4-5-12(20)14(21)17-3/h11-13H,4-10H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyLVTJBAASVVFYDJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.21
Rot. Bonds4

About N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide

N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (PubChem CID 91100856) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
PubChem CID91100856
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(NC(=O)N1CCOCC1)C(C)C
InChIInChI=1S/C16H28N4O4/c1-11(2)13(18-16(23)19-7-9-24-10-8-19)15(22)20-6-4-5-12(20)14(21)17-3/h11-13H,4-10H2,1-3H3,(H,17,21)(H,18,23)
InChIKeyLVTJBAASVVFYDJ-UHFFFAOYSA-N
XLogP-0.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide (CID 91100856) is N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is CNC(=O)C1CCCN1C(=O)C(NC(=O)N1CCOCC1)C(C)C.
What is the InChIKey of N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
The InChIKey is LVTJBAASVVFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-11(2)13(18-16(23)19-7-9-24-10-8-19)15(22)20-6-4-5-12(20)14(21)17-3/h11-13H,4-10H2,1-3H3,(H,17,21)(H,18,23).
What are the key properties of N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide?
N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxobutan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 91100856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).