2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride

C14H22ClNO4 — CID 23622530

IUPAC2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
SMILESCl.O.O=C(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C14H19NO3.ClH.H2O/c16-14(12-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15;;/h1-5H,6-12H2;1H;1H2
InChIKeyMKAXKDWEHPBRKD-UHFFFAOYSA-N
MW303.79 g/mol
LogP0.70
Rot. Bonds5

About 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride

2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride (PubChem CID 23622530) has the molecular formula C14H22ClNO4 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
PubChem CID23622530
Molecular FormulaC14H22ClNO4
Molecular Weight303.79 g/mol
Exact Mass303.12
IUPAC Name2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
SMILESCl.O.O=C(Cc1ccccc1)OCCN1CCOCC1
InChIInChI=1S/C14H19NO3.ClH.H2O/c16-14(12-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15;;/h1-5H,6-12H2;1H;1H2
InChIKeyMKAXKDWEHPBRKD-UHFFFAOYSA-N
XLogP0.70
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-morpholin-4-ylethyl N-carbamoyl-N-phenylcarbamate
CID 23202915
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
(1-morpholin-4-yl-3-phenylpentan-3-yl) 2-phenylacetate
CID 24840310
S-(morpholin-4-ylmethyl) 2-phenylethanethioate
CID 24975270
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride?
The IUPAC name of 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride (CID 23622530) is 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride?
The canonical SMILES for 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride is Cl.O.O=C(Cc1ccccc1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride?
The InChIKey is MKAXKDWEHPBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3.ClH.H2O/c16-14(12-13-4-2-1-3-5-13)18-11-8-15-6-9-17-10-7-15;;/h1-5H,6-12H2;1H;1H2.
What are the key properties of 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride?
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride is sourced from PubChem (CID 23622530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).