methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate

C15H21NO3 — CID 116860405

IUPACmethyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
SMILESCCc1ccc(C(C(=O)OC)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)14(15(17)18-2)16-8-10-19-11-9-16/h4-7,14H,3,8-11H2,1-2H3
InChIKeyOSKCYEJCJZZSBC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.80
Rot. Bonds4

About methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate

methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate (PubChem CID 116860405) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
PubChem CID116860405
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate
SMILESCCc1ccc(C(C(=O)OC)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)14(15(17)18-2)16-8-10-19-11-9-16/h4-7,14H,3,8-11H2,1-2H3
InChIKeyOSKCYEJCJZZSBC-UHFFFAOYSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
CID 112506594
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
methyl (2S)-2-[(2S)-2-ethylmorpholin-4-yl]-2-(4-fluorophenyl)acetate
CID 95160744
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 60590041
methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
CID 95280387
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate?
The IUPAC name of methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate (CID 116860405) is methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate.
What is the SMILES notation for methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate?
The canonical SMILES for methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate is CCc1ccc(C(C(=O)OC)N2CCOCC2)cc1.
What is the InChIKey of methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate?
The InChIKey is OSKCYEJCJZZSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-12-4-6-13(7-5-12)14(15(17)18-2)16-8-10-19-11-9-16/h4-7,14H,3,8-11H2,1-2H3.
What are the key properties of methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate?
methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate has a molecular weight of 263.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylphenyl)-2-morpholin-4-ylacetate is sourced from PubChem (CID 116860405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).