2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide

C17H24N2O4 — CID 124741961

IUPAC2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
SMILESC[C@H](OCCCNC(=O)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-14(15-6-3-2-4-7-15)23-11-5-8-18-16(20)17(21)19-9-12-22-13-10-19/h2-4,6-7,14H,5,8-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyXBDQRSOFVLVTMS-AWEZNQCLSA-N
MW320.39 g/mol
LogP1.13
Rot. Bonds6

About 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide

2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide (PubChem CID 124741961) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
PubChem CID124741961
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide
SMILESC[C@H](OCCCNC(=O)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H24N2O4/c1-14(15-6-3-2-4-7-15)23-11-5-8-18-16(20)17(21)19-9-12-22-13-10-19/h2-4,6-7,14H,5,8-13H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyXBDQRSOFVLVTMS-AWEZNQCLSA-N
XLogP1.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide (CID 124741961) is 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide is C[C@H](OCCCNC(=O)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide?
The InChIKey is XBDQRSOFVLVTMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-14(15-6-3-2-4-7-15)23-11-5-8-18-16(20)17(21)19-9-12-22-13-10-19/h2-4,6-7,14H,5,8-13H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide?
2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]acetamide is sourced from PubChem (CID 124741961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).