2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate

C21H30N2O4 — CID 24844455

IUPAC2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
SMILESO=C(OCCOCCN1CCOCC1)C(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C21H30N2O4/c24-21(27-18-17-26-16-13-22-11-14-25-15-12-22)20(19-7-3-1-4-8-19)23-9-5-2-6-10-23/h1-5,7-8,20H,6,9-18H2
InChIKeyIHCZVFMRCPBNGY-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.88
Rot. Bonds9

About 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate

2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate (PubChem CID 24844455) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
PubChem CID24844455
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate
SMILESO=C(OCCOCCN1CCOCC1)C(c1ccccc1)N1CC=CCC1
InChIInChI=1S/C21H30N2O4/c24-21(27-18-17-26-16-13-22-11-14-25-15-12-22)20(19-7-3-1-4-8-19)23-9-5-2-6-10-23/h1-5,7-8,20H,6,9-18H2
InChIKeyIHCZVFMRCPBNGY-UHFFFAOYSA-N
XLogP1.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
4-(2-benzhydrylsulfinylethyl)morpholine
CID 4199893
6-morpholin-4-yl-1,1-diphenylhexan-3-one
CID 159280130
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
[2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylethyl] acetate
CID 72745116
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate?
The IUPAC name of 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate (CID 24844455) is 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate.
What is the SMILES notation for 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate?
The canonical SMILES for 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate is O=C(OCCOCCN1CCOCC1)C(c1ccccc1)N1CC=CCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate?
The InChIKey is IHCZVFMRCPBNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-21(27-18-17-26-16-13-22-11-14-25-15-12-22)20(19-7-3-1-4-8-19)23-9-5-2-6-10-23/h1-5,7-8,20H,6,9-18H2.
What are the key properties of 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate?
2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate has a molecular weight of 374.48 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate is sourced from PubChem (CID 24844455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).