ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate

C15H21NO3 — CID 24727630

IUPACethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)10-6-9-14(17)12-7-5-8-13(11-12)16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyVVFYNCOFYFBCOA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.67
Rot. Bonds7

About ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate

ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate (PubChem CID 24727630) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
PubChem CID24727630
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C15H21NO3/c1-4-19-15(18)10-6-9-14(17)12-7-5-8-13(11-12)16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3
InChIKeyVVFYNCOFYFBCOA-UHFFFAOYSA-N
XLogP2.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(3-iodophenyl)-5-oxopentanoate
CID 24727494
ethyl 6-(3-methylphenyl)-6-oxohexanoate
CID 24727324
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
ethyl 2-[[3-(dimethylamino)benzoyl]-propan-2-ylamino]acetate
CID 61022059
ethyl 5-(3,5-dihydroxyphenyl)-5-oxopentanoate
CID 132991348
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
ethyl 5-[4-(chloromethyl)phenyl]-5-oxopentanoate
CID 157064141
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate?
The IUPAC name of ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate (CID 24727630) is ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate.
What is the SMILES notation for ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate?
The canonical SMILES for ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate is CCOC(=O)CCCC(=O)c1cccc(N(C)C)c1.
What is the InChIKey of ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate?
The InChIKey is VVFYNCOFYFBCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-19-15(18)10-6-9-14(17)12-7-5-8-13(11-12)16(2)3/h5,7-8,11H,4,6,9-10H2,1-3H3.
What are the key properties of ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate?
ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(dimethylamino)phenyl]-5-oxopentanoate is sourced from PubChem (CID 24727630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).