2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide

C19H28N2O4 — CID 70053583

IUPAC2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C19H28N2O4/c1-2-3-9-16(18(20)22)25-17(14-15-7-5-4-6-8-15)19(23)21-10-12-24-13-11-21/h4-8,16-17H,2-3,9-14H2,1H3,(H2,20,22)/t16?,17-/m0/s1
InChIKeyDIBMMKGSTOTUNJ-DJNXLDHESA-N
MW348.44 g/mol
LogP1.52
Rot. Bonds9

About 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide

2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (PubChem CID 70053583) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.

Molecular Properties

Compound Name2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
PubChem CID70053583
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
SMILESCCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(N)=O
InChIInChI=1S/C19H28N2O4/c1-2-3-9-16(18(20)22)25-17(14-15-7-5-4-6-8-15)19(23)21-10-12-24-13-11-21/h4-8,16-17H,2-3,9-14H2,1H3,(H2,20,22)/t16?,17-/m0/s1
InChIKeyDIBMMKGSTOTUNJ-DJNXLDHESA-N
XLogP1.52
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70056747
(2S)-2-[(2S)-1-[2-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 56624863
(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoic acid
CID 10250828
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
CID 70054611
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
CID 18638877
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
[1-oxo-1-(1-oxo-1,4-thiazinan-4-yl)-3-phenylpropan-2-yl] carbamate
CID 175124615

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The IUPAC name of 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide (CID 70053583) is 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide.
What is the SMILES notation for 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The canonical SMILES for 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is CCCCC(O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C(N)=O.
What is the InChIKey of 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
The InChIKey is DIBMMKGSTOTUNJ-DJNXLDHESA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-3-9-16(18(20)22)25-17(14-15-7-5-4-6-8-15)19(23)21-10-12-24-13-11-21/h4-8,16-17H,2-3,9-14H2,1H3,(H2,20,22)/t16?,17-/m0/s1.
What are the key properties of 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide?
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide has a molecular weight of 348.44 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide is sourced from PubChem (CID 70053583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).