N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide

C15H22FN3O3 — CID 23278484

IUPACN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N(CC(O)CN)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H22FN3O3/c1-11(20)19(10-13(21)9-17)12-2-3-15(14(16)8-12)18-4-6-22-7-5-18/h2-3,8,13,21H,4-7,9-10,17H2,1H3
InChIKeyKSASPIJIEXODQP-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.33
Rot. Bonds5

About N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide

N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide (PubChem CID 23278484) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
PubChem CID23278484
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC NameN-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
SMILESCC(=O)N(CC(O)CN)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H22FN3O3/c1-11(20)19(10-13(21)9-17)12-2-3-15(14(16)8-12)18-4-6-22-7-5-18/h2-3,8,13,21H,4-7,9-10,17H2,1H3
InChIKeyKSASPIJIEXODQP-UHFFFAOYSA-N
XLogP0.33
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide (CID 23278484) is N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide is CC(=O)N(CC(O)CN)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is KSASPIJIEXODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c1-11(20)19(10-13(21)9-17)12-2-3-15(14(16)8-12)18-4-6-22-7-5-18/h2-3,8,13,21H,4-7,9-10,17H2,1H3.
What are the key properties of N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide?
N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 311.36 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 23278484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).