ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate

C16H25NO3 — CID 107200700

IUPACethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)CCCCCO
InChIInChI=1S/C16H25NO3/c1-3-20-16(19)15(14-10-6-4-7-11-14)17(2)12-8-5-9-13-18/h4,6-7,10-11,15,18H,3,5,8-9,12-13H2,1-2H3
InChIKeyVGRAVUYCBCPHKK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds9

About ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate

ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate (PubChem CID 107200700) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
PubChem CID107200700
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)N(C)CCCCCO
InChIInChI=1S/C16H25NO3/c1-3-20-16(19)15(14-10-6-4-7-11-14)17(2)12-8-5-9-13-18/h4,6-7,10-11,15,18H,3,5,8-9,12-13H2,1-2H3
InChIKeyVGRAVUYCBCPHKK-UHFFFAOYSA-N
XLogP2.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-[methyl-[3-(methylamino)propyl]amino]-2-phenylacetate
CID 106677126
ethyl 2-[5-hydroxypentyl(methyl)amino]propanoate
CID 103768211
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
5-[(2-amino-1-phenylethyl)-methylamino]pentan-1-ol
CID 107198422
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
2-[4-hydroxybutyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166219948
ethyl 2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-phenylacetate
CID 106677155
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-phenylacetate
CID 106677134
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
2-[2-hydroxyethyl(methyl)amino]-2-phenylethanethioamide
CID 84749659
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate (CID 107200700) is ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate is CCOC(=O)C(c1ccccc1)N(C)CCCCCO.
What is the InChIKey of ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate?
The InChIKey is VGRAVUYCBCPHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-20-16(19)15(14-10-6-4-7-11-14)17(2)12-8-5-9-13-18/h4,6-7,10-11,15,18H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate?
ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate has a molecular weight of 279.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-hydroxypentyl(methyl)amino]-2-phenylacetate is sourced from PubChem (CID 107200700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).