ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate

C19H29NO3 — CID 59658258

IUPACethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate
SMILESCCOC(=O)C(C)(C)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C19H29NO3/c1-4-23-18(21)19(2,3)17-9-5-7-16(15-17)8-6-10-20-11-13-22-14-12-20/h5,7,9,15H,4,6,8,10-14H2,1-3H3
InChIKeySWAGIFRCVDKPIU-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.79
Rot. Bonds7

About ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate

ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate (PubChem CID 59658258) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate
PubChem CID59658258
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Nameethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate
SMILESCCOC(=O)C(C)(C)c1cccc(CCCN2CCOCC2)c1
InChIInChI=1S/C19H29NO3/c1-4-23-18(21)19(2,3)17-9-5-7-16(15-17)8-6-10-20-11-13-22-14-12-20/h5,7,9,15H,4,6,8,10-14H2,1-3H3
InChIKeySWAGIFRCVDKPIU-UHFFFAOYSA-N
XLogP2.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-[3-ethoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propyl]morpholine
CID 170870404
4-[3-[3-(4-methylphenyl)phenyl]propyl]morpholine
CID 170869539
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
3-(3-morpholin-4-ylpropyl)benzonitrile
CID 86190356
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
[4-[3-(3-chlorophenyl)propyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110413923
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
1-[2-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 159563312
3-(2-morpholin-4-ylethyl)phenol
CID 82187913

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate (CID 59658258) is ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate is CCOC(=O)C(C)(C)c1cccc(CCCN2CCOCC2)c1.
What is the InChIKey of ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate?
The InChIKey is SWAGIFRCVDKPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-23-18(21)19(2,3)17-9-5-7-16(15-17)8-6-10-20-11-13-22-14-12-20/h5,7,9,15H,4,6,8,10-14H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate?
ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate has a molecular weight of 319.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[3-(3-morpholin-4-ylpropyl)phenyl]propanoate is sourced from PubChem (CID 59658258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).