ethyl 3-morpholin-4-yl-5-phenylpentanoate

C17H25NO3 — CID 64528218

IUPACethyl 3-morpholin-4-yl-5-phenylpentanoate
SMILESCCOC(=O)CC(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO3/c1-2-21-17(19)14-16(18-10-12-20-13-11-18)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyGVHXSSIMPFMQJZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.27
Rot. Bonds7

About ethyl 3-morpholin-4-yl-5-phenylpentanoate

ethyl 3-morpholin-4-yl-5-phenylpentanoate (PubChem CID 64528218) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-5-phenylpentanoate
PubChem CID64528218
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 3-morpholin-4-yl-5-phenylpentanoate
SMILESCCOC(=O)CC(CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25NO3/c1-2-21-17(19)14-16(18-10-12-20-13-11-18)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyGVHXSSIMPFMQJZ-UHFFFAOYSA-N
XLogP2.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
ethyl 3-bromo-5-phenylpentanoate
CID 18918606
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
ethyl 3-(2-phenylethyl)heptanoate
CID 102077330
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid
CID 157419605

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-5-phenylpentanoate?
The IUPAC name of ethyl 3-morpholin-4-yl-5-phenylpentanoate (CID 64528218) is ethyl 3-morpholin-4-yl-5-phenylpentanoate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-5-phenylpentanoate?
The canonical SMILES for ethyl 3-morpholin-4-yl-5-phenylpentanoate is CCOC(=O)CC(CCc1ccccc1)N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-5-phenylpentanoate?
The InChIKey is GVHXSSIMPFMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-21-17(19)14-16(18-10-12-20-13-11-18)9-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-5-phenylpentanoate?
ethyl 3-morpholin-4-yl-5-phenylpentanoate has a molecular weight of 291.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-5-phenylpentanoate is sourced from PubChem (CID 64528218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).