ethyl 6-(2-phenylpropylamino)hexanoate

C17H27NO2 — CID 104591443

IUPACethyl 6-(2-phenylpropylamino)hexanoate
SMILESCCOC(=O)CCCCCNCC(C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-20-17(19)12-8-5-9-13-18-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,18H,3,5,8-9,12-14H2,1-2H3
InChIKeyFFYFYRNRGPKKPV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.50
Rot. Bonds10

About ethyl 6-(2-phenylpropylamino)hexanoate

ethyl 6-(2-phenylpropylamino)hexanoate (PubChem CID 104591443) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 6-(2-phenylpropylamino)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-phenylpropylamino)hexanoate
PubChem CID104591443
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 6-(2-phenylpropylamino)hexanoate
SMILESCCOC(=O)CCCCCNCC(C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-20-17(19)12-8-5-9-13-18-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,18H,3,5,8-9,12-14H2,1-2H3
InChIKeyFFYFYRNRGPKKPV-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]butanoate
CID 111342173
ethyl 6-[[(4-methylphenyl)-phenylmethyl]amino]hexanoate
CID 56697030
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304
ethyl 6-[(2-phenylacetyl)amino]hexanoate
CID 46844441
ethyl 4-methyl-6-phenylheptanoate
CID 158915322
ethyl 6-(phenylmethoxyamino)hexanoate
CID 64974453
ethyl 6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanoate
CID 81408777
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
CID 103239817
(8-ethoxy-8-oxooctyl)-triphenylphosphanium bromide
CID 20534497
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-phenylpropylamino)hexanoate?
The IUPAC name of ethyl 6-(2-phenylpropylamino)hexanoate (CID 104591443) is ethyl 6-(2-phenylpropylamino)hexanoate.
What is the SMILES notation for ethyl 6-(2-phenylpropylamino)hexanoate?
The canonical SMILES for ethyl 6-(2-phenylpropylamino)hexanoate is CCOC(=O)CCCCCNCC(C)c1ccccc1.
What is the InChIKey of ethyl 6-(2-phenylpropylamino)hexanoate?
The InChIKey is FFYFYRNRGPKKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-20-17(19)12-8-5-9-13-18-14-15(2)16-10-6-4-7-11-16/h4,6-7,10-11,15,18H,3,5,8-9,12-14H2,1-2H3.
What are the key properties of ethyl 6-(2-phenylpropylamino)hexanoate?
ethyl 6-(2-phenylpropylamino)hexanoate has a molecular weight of 277.41 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-phenylpropylamino)hexanoate is sourced from PubChem (CID 104591443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).