ethyl 2-(5-hydroxypentylamino)-2-phenylacetate

C15H23NO3 — CID 107318255

IUPACethyl 2-(5-hydroxypentylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCCCCCO)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)14(13-9-5-3-6-10-13)16-11-7-4-8-12-17/h3,5-6,9-10,14,16-17H,2,4,7-8,11-12H2,1H3
InChIKeyJHJLTAGUHPHUIF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds9

About ethyl 2-(5-hydroxypentylamino)-2-phenylacetate

ethyl 2-(5-hydroxypentylamino)-2-phenylacetate (PubChem CID 107318255) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-(5-hydroxypentylamino)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(5-hydroxypentylamino)-2-phenylacetate
PubChem CID107318255
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-(5-hydroxypentylamino)-2-phenylacetate
SMILESCCOC(=O)C(NCCCCCO)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)14(13-9-5-3-6-10-13)16-11-7-4-8-12-17/h3,5-6,9-10,14,16-17H,2,4,7-8,11-12H2,1H3
InChIKeyJHJLTAGUHPHUIF-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
CID 103950593
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
2-(butylamino)-2-phenylacetamide
CID 14569005
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
5-(1-phenylbutylamino)pentan-1-ol
CID 113350448
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-hydroxypentylamino)-2-phenylacetate?
The IUPAC name of ethyl 2-(5-hydroxypentylamino)-2-phenylacetate (CID 107318255) is ethyl 2-(5-hydroxypentylamino)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(5-hydroxypentylamino)-2-phenylacetate?
The canonical SMILES for ethyl 2-(5-hydroxypentylamino)-2-phenylacetate is CCOC(=O)C(NCCCCCO)c1ccccc1.
What is the InChIKey of ethyl 2-(5-hydroxypentylamino)-2-phenylacetate?
The InChIKey is JHJLTAGUHPHUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15(18)14(13-9-5-3-6-10-13)16-11-7-4-8-12-17/h3,5-6,9-10,14,16-17H,2,4,7-8,11-12H2,1H3.
What are the key properties of ethyl 2-(5-hydroxypentylamino)-2-phenylacetate?
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate has a molecular weight of 265.35 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-hydroxypentylamino)-2-phenylacetate is sourced from PubChem (CID 107318255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).