ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate

C15H21NO3 — CID 91710863

IUPACethyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-19-15(18)11-7-10-14(17)16(2)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyKEKBYTMBQBFVSM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds7

About ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate

ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate (PubChem CID 91710863) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[benzyl(methyl)amino]-5-oxopentanoate
PubChem CID91710863
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c1-3-19-15(18)11-7-10-14(17)16(2)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3
InChIKeyKEKBYTMBQBFVSM-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The IUPAC name of ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate (CID 91710863) is ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate.
What is the SMILES notation for ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The canonical SMILES for ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate is CCOC(=O)CCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The InChIKey is KEKBYTMBQBFVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-15(18)11-7-10-14(17)16(2)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3.
What are the key properties of ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate has a molecular weight of 263.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[benzyl(methyl)amino]-5-oxopentanoate is sourced from PubChem (CID 91710863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).