4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate

C19H29NO3 — CID 91710850

IUPAC4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCC(C)CCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H29NO3/c1-16(2)9-8-14-23-19(22)13-7-12-18(21)20(3)15-17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3
InChIKeySEGGZZLPABMLLF-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.79
Rot. Bonds10

About 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate

4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate (PubChem CID 91710850) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate
PubChem CID91710850
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate
SMILESCC(C)CCCOC(=O)CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H29NO3/c1-16(2)9-8-14-23-19(22)13-7-12-18(21)20(3)15-17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3
InChIKeySEGGZZLPABMLLF-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
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
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
1-Benzyl-6-oxopiperidine-3-carboxylic acid
CID 10353926

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The IUPAC name of 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate (CID 91710850) is 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate.
What is the SMILES notation for 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The canonical SMILES for 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate is CC(C)CCCOC(=O)CCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
The InChIKey is SEGGZZLPABMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-16(2)9-8-14-23-19(22)13-7-12-18(21)20(3)15-17-10-5-4-6-11-17/h4-6,10-11,16H,7-9,12-15H2,1-3H3.
What are the key properties of 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate?
4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate has a molecular weight of 319.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 5-[benzyl(methyl)amino]-5-oxopentanoate is sourced from PubChem (CID 91710850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).