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

C16H23NO3 — CID 91710864

IUPACpropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-12-20-16(19)11-7-10-15(18)17(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeySXSUXGLJGQNRBX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds8

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

propyl 5-[benzyl(methyl)amino]-5-oxopentanoate (PubChem CID 91710864) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is propyl 5-[benzyl(methyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namepropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
PubChem CID91710864
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namepropyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H23NO3/c1-3-12-20-16(19)11-7-10-15(18)17(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeySXSUXGLJGQNRBX-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
CID 2169806
Ethyl 1-benzoyl-3-methylpiperidine-3-carboxylate
CID 18760283
N-Benzylglutaramic acid
CID 3605536
Ethyl 1-(2-methylbenzyl)-3-piperidinecarboxylate
CID 2837947
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130
Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
Ethyl 5-(benzylamino)pentanoate hydrochloride
CID 6602878
5-(Dibenzylamino)-5-oxopentanoic acid
CID 2173499
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
Methyl 1-benzylpiperidine-3-carboxylate
CID 10059878
Methyl 5-{3-[methyl(2-phenylethyl)amino]piperidin-1-yl}-5-oxopentanoate
CID 23723362
Methyl 5-(4-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoate
CID 23723631

Frequently Asked Questions

What is the IUPAC name of propyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The IUPAC name of propyl 5-[benzyl(methyl)amino]-5-oxopentanoate (CID 91710864) is propyl 5-[benzyl(methyl)amino]-5-oxopentanoate.
What is the SMILES notation for propyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The canonical SMILES for propyl 5-[benzyl(methyl)amino]-5-oxopentanoate is CCCOC(=O)CCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of propyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The InChIKey is SXSUXGLJGQNRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-12-20-16(19)11-7-10-15(18)17(2)13-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3.
What are the key properties of propyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
propyl 5-[benzyl(methyl)amino]-5-oxopentanoate has a molecular weight of 277.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[benzyl(methyl)amino]-5-oxopentanoate is sourced from PubChem (CID 91710864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).