4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide

C23H33N3O4 — CID 91957637

IUPAC4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1ccccc1
InChIInChI=1S/C23H33N3O4/c1-25-19(27)15-30-21(20(25)18-7-3-2-4-8-18)22(28)24-16-23(9-13-29-14-10-23)17-26-11-5-6-12-26/h2-4,7-8,20-21H,5-6,9-17H2,1H3,(H,24,28)
InChIKeyRXTKPFLXSLMKST-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.59
Rot. Bonds6

About 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide

4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide (PubChem CID 91957637) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
PubChem CID91957637
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide
SMILESCN1C(=O)COC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1ccccc1
InChIInChI=1S/C23H33N3O4/c1-25-19(27)15-30-21(20(25)18-7-3-2-4-8-18)22(28)24-16-23(9-13-29-14-10-23)17-26-11-5-6-12-26/h2-4,7-8,20-21H,5-6,9-17H2,1H3,(H,24,28)
InChIKeyRXTKPFLXSLMKST-UHFFFAOYSA-N
XLogP1.59
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide (CID 91957637) is 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide is CN1C(=O)COC(C(=O)NCC2(CN3CCCC3)CCOCC2)C1c1ccccc1.
What is the InChIKey of 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide?
The InChIKey is RXTKPFLXSLMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-25-19(27)15-30-21(20(25)18-7-3-2-4-8-18)22(28)24-16-23(9-13-29-14-10-23)17-26-11-5-6-12-26/h2-4,7-8,20-21H,5-6,9-17H2,1H3,(H,24,28).
What are the key properties of 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide?
4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-3-phenyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 91957637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).