N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide

C17H24N2O3 — CID 56823123

IUPACN-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1C)Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-14-13-22-11-10-19(14)17(21)8-9-18(15(2)20)12-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyWVIQPUHNBWPZLJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.67
Rot. Bonds5

About N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide

N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide (PubChem CID 56823123) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
PubChem CID56823123
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCOCC1C)Cc1ccccc1
InChIInChI=1S/C17H24N2O3/c1-14-13-22-11-10-19(14)17(21)8-9-18(15(2)20)12-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyWVIQPUHNBWPZLJ-UHFFFAOYSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide (CID 56823123) is N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCOCC1C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide?
The InChIKey is WVIQPUHNBWPZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14-13-22-11-10-19(14)17(21)8-9-18(15(2)20)12-16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3.
What are the key properties of N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide?
N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(3-methylmorpholin-4-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 56823123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).