ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate

C18H27NO3 — CID 142202810

IUPACethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate
SMILESCCCC(C)(C(=O)OCC)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-10-18(3,17(20)22-5-2)15-6-8-16(9-7-15)19-11-13-21-14-12-19/h6-9H,4-5,10-14H2,1-3H3
InChIKeyPJCXYYBCQIOHFC-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.14
Rot. Bonds6

About ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate

ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate (PubChem CID 142202810) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate
PubChem CID142202810
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate
SMILESCCCC(C)(C(=O)OCC)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-10-18(3,17(20)22-5-2)15-6-8-16(9-7-15)19-11-13-21-14-12-19/h6-9H,4-5,10-14H2,1-3H3
InChIKeyPJCXYYBCQIOHFC-UHFFFAOYSA-N
XLogP3.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
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CID 161153433
ethyl 2-methyl-2-morpholin-4-ylpropanoate
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ethyl 2-[4-[[(2Z)-2-hydroxyiminoacetyl]amino]phenyl]-2-methylpentanoate
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2-amino-2-(4-morpholin-4-ylphenyl)butanal
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ethyl 2-methyl-2-phenyl-5-[4-[4-[3-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]pentanoate
CID 91108888
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
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ethyl 2-amino-3-(2-fluoro-4-morpholin-4-ylphenyl)propanoate
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N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
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ethyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 764048
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
CID 15139256

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate (CID 142202810) is ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate is CCCC(C)(C(=O)OCC)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate?
The InChIKey is PJCXYYBCQIOHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-10-18(3,17(20)22-5-2)15-6-8-16(9-7-15)19-11-13-21-14-12-19/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate?
ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate has a molecular weight of 305.42 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(4-morpholin-4-ylphenyl)pentanoate is sourced from PubChem (CID 142202810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).