ethyl 4-(2-phenylethylamino)pentanoate

C15H23NO2 — CID 67423841

IUPACethyl 4-(2-phenylethylamino)pentanoate
SMILESCCOC(=O)CCC(C)NCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-15(17)10-9-13(2)16-12-11-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyAPMZGVPBHZFCHE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds8

About ethyl 4-(2-phenylethylamino)pentanoate

ethyl 4-(2-phenylethylamino)pentanoate (PubChem CID 67423841) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethyl 4-(2-phenylethylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(2-phenylethylamino)pentanoate
PubChem CID67423841
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethyl 4-(2-phenylethylamino)pentanoate
SMILESCCOC(=O)CCC(C)NCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-3-18-15(17)10-9-13(2)16-12-11-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3
InChIKeyAPMZGVPBHZFCHE-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-phenylbutan-2-ylamino)propanoate
CID 24773124
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
ethyl 4-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]butanoate;hydroiodide
CID 111172642
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 3-[4-[2-(benzenesulfonamido)ethyl]phenyl]propanoate
CID 57249051
ethyl 2-[4-[2-hydroxy-1-(2-phenylethylamino)ethyl]phenyl]acetate
CID 70268301
2-phenylethyl 4-methylpentanoate
CID 69256004

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-phenylethylamino)pentanoate?
The IUPAC name of ethyl 4-(2-phenylethylamino)pentanoate (CID 67423841) is ethyl 4-(2-phenylethylamino)pentanoate.
What is the SMILES notation for ethyl 4-(2-phenylethylamino)pentanoate?
The canonical SMILES for ethyl 4-(2-phenylethylamino)pentanoate is CCOC(=O)CCC(C)NCCc1ccccc1.
What is the InChIKey of ethyl 4-(2-phenylethylamino)pentanoate?
The InChIKey is APMZGVPBHZFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-15(17)10-9-13(2)16-12-11-14-7-5-4-6-8-14/h4-8,13,16H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(2-phenylethylamino)pentanoate?
ethyl 4-(2-phenylethylamino)pentanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-phenylethylamino)pentanoate is sourced from PubChem (CID 67423841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).