(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate

C15H21NO4 — CID 3029446

IUPAC(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate
SMILESCCC(O)(OC(=O)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO4/c1-2-15(18,16-8-10-19-11-9-16)20-14(17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3
InChIKeyUQBHSXLTFNPBHC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.16
Rot. Bonds5

About (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate

(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate (PubChem CID 3029446) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate.

Molecular Properties

Compound Name(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate
PubChem CID3029446
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate
SMILESCCC(O)(OC(=O)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO4/c1-2-15(18,16-8-10-19-11-9-16)20-14(17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3
InChIKeyUQBHSXLTFNPBHC-UHFFFAOYSA-N
XLogP1.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
CID 24840310
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-benzyl-2-morpholin-4-ylpropanedioic acid
CID 19736376
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
[2-ethoxy-4-(morpholine-4-carbothioyl)phenyl] 2-phenylacetate
CID 1041882
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
3-morpholin-4-yl-3-phenylhexanoic acid
CID 64528715
(4-ethylmorpholin-2-yl) 2-phenylacetate
CID 142769710
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
triethyl 2-(2-phenylacetyl)oxypropane-1,2,3-tricarboxylate
CID 175186027
2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one
CID 22623564

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate?
The IUPAC name of (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate (CID 3029446) is (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate.
What is the SMILES notation for (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate?
The canonical SMILES for (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate is CCC(O)(OC(=O)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate?
The InChIKey is UQBHSXLTFNPBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-15(18,16-8-10-19-11-9-16)20-14(17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3.
What are the key properties of (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate?
(1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate has a molecular weight of 279.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-1-morpholin-4-ylpropyl) 2-phenylacetate is sourced from PubChem (CID 3029446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).