methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate

C15H21NO4 — CID 82348457

IUPACmethyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
SMILESCCOc1ccc(C(=O)C(CCC(=O)OC)NC)cc1
InChIInChI=1S/C15H21NO4/c1-4-20-12-7-5-11(6-8-12)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyXHVXHYPZQQQFRP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds8

About methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate

methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate (PubChem CID 82348457) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
PubChem CID82348457
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate
SMILESCCOc1ccc(C(=O)C(CCC(=O)OC)NC)cc1
InChIInChI=1S/C15H21NO4/c1-4-20-12-7-5-11(6-8-12)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyXHVXHYPZQQQFRP-UHFFFAOYSA-N
XLogP1.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-4-(4-ethoxyphenyl)butanoate
CID 60862003
1-(4-ethoxyphenyl)-3-methyl-2-(methylamino)butan-1-one
CID 112512233
methyl 4-(methylamino)-5-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoate
CID 82347867
methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
CID 82349449
methyl 4-(methylamino)-5-oxo-5-(2-oxo-1,3-dihydroindol-5-yl)pentanoate
CID 82349947
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
methyl 4-(tert-butylamino)-5-(4-fluorophenyl)-5-oxopentanoate
CID 82348065
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
2,5-bis[(dimethylamino)methyl]-1,6-bis(4-ethoxyphenyl)hexane-1,6-dione
CID 3705952
methyl 5-oxo-5-phenyl-4-(propan-2-ylamino)pentanoate
CID 82347400
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate?
The IUPAC name of methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate (CID 82348457) is methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate.
What is the SMILES notation for methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate?
The canonical SMILES for methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate is CCOc1ccc(C(=O)C(CCC(=O)OC)NC)cc1.
What is the InChIKey of methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate?
The InChIKey is XHVXHYPZQQQFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-20-12-7-5-11(6-8-12)15(18)13(16-2)9-10-14(17)19-3/h5-8,13,16H,4,9-10H2,1-3H3.
What are the key properties of methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate?
methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate has a molecular weight of 279.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethoxyphenyl)-4-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 82348457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).