2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide

C18H26N2O3 — CID 16894893

IUPAC2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
SMILESCC(C)C(=O)NCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(2)18(22)19-10-6-9-17(21)20-11-12-23-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)
InChIKeySHXLYRUYFBORAA-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.14
Rot. Bonds6

About 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide

2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide (PubChem CID 16894893) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
PubChem CID16894893
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
SMILESCC(C)C(=O)NCCCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H26N2O3/c1-14(2)18(22)19-10-6-9-17(21)20-11-12-23-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22)
InChIKeySHXLYRUYFBORAA-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-N'-(2-phenylethyl)oxamide
CID 16895045
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-3-phenylpropanamide
CID 16894872
1-(2-methylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]methanesulfonamide
CID 16895212
N'-(3,5-dimethylphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895016
2-(3,4-dimethoxyphenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894900
2-(4-methylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894912
N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]-4-propan-2-ylbenzenesulfonamide
CID 16895203
N'-(4-fluorophenyl)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]oxamide
CID 16895035
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866
2-(4-tert-butylphenoxy)-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]acetamide
CID 16894896
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide?
The IUPAC name of 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide (CID 16894893) is 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide is CC(C)C(=O)NCCCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide?
The InChIKey is SHXLYRUYFBORAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14(2)18(22)19-10-6-9-17(21)20-11-12-23-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide?
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide is sourced from PubChem (CID 16894893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).