ethyl 2-(3,5-diphenylpentylamino)acetate

C21H27NO2 — CID 21019958

IUPACethyl 2-(3,5-diphenylpentylamino)acetate
SMILESCCOC(=O)CNCCC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-21(23)17-22-16-15-20(19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3
InChIKeySFUZJRGSEXVFJK-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.95
Rot. Bonds10

About ethyl 2-(3,5-diphenylpentylamino)acetate

ethyl 2-(3,5-diphenylpentylamino)acetate (PubChem CID 21019958) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is ethyl 2-(3,5-diphenylpentylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-diphenylpentylamino)acetate
PubChem CID21019958
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Nameethyl 2-(3,5-diphenylpentylamino)acetate
SMILESCCOC(=O)CNCCC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-2-24-21(23)17-22-16-15-20(19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3
InChIKeySFUZJRGSEXVFJK-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.95
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

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ethyl 2-[(2-hydroxy-2-phenylethyl)amino]acetate
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ethyl 2-(benzylamino)acetate;oxalic acid
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ethyl 2-(2-phenylsulfanylethylamino)acetate
CID 60681841
ethyl 3-bromo-5-phenylpentanoate
CID 18918606
butyl 2-(2-phenylethylamino)acetate
CID 60679601
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 4-(2-phenylethylamino)pentanoate
CID 67423841
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-diphenylpentylamino)acetate?
The IUPAC name of ethyl 2-(3,5-diphenylpentylamino)acetate (CID 21019958) is ethyl 2-(3,5-diphenylpentylamino)acetate.
What is the SMILES notation for ethyl 2-(3,5-diphenylpentylamino)acetate?
The canonical SMILES for ethyl 2-(3,5-diphenylpentylamino)acetate is CCOC(=O)CNCCC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-(3,5-diphenylpentylamino)acetate?
The InChIKey is SFUZJRGSEXVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-24-21(23)17-22-16-15-20(19-11-7-4-8-12-19)14-13-18-9-5-3-6-10-18/h3-12,20,22H,2,13-17H2,1H3.
What are the key properties of ethyl 2-(3,5-diphenylpentylamino)acetate?
ethyl 2-(3,5-diphenylpentylamino)acetate has a molecular weight of 325.45 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-diphenylpentylamino)acetate is sourced from PubChem (CID 21019958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).