ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate

C14H21NO3 — CID 113357564

IUPACethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NCC(C)(C)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(16)12(15-10-14(2,3)17)11-8-6-5-7-9-11/h5-9,12,15,17H,4,10H2,1-3H3
InChIKeyMDLQERCWXQEMOH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds6

About ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate

ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate (PubChem CID 113357564) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
PubChem CID113357564
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NCC(C)(C)O)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(16)12(15-10-14(2,3)17)11-8-6-5-7-9-11/h5-9,12,15,17H,4,10H2,1-3H3
InChIKeyMDLQERCWXQEMOH-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
CID 113245783
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-phenylacetate
CID 15850589
ethyl 2-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)acetate
CID 103601305
ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate (CID 113357564) is ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate is CCOC(=O)C(NCC(C)(C)O)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate?
The InChIKey is MDLQERCWXQEMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13(16)12(15-10-14(2,3)17)11-8-6-5-7-9-11/h5-9,12,15,17H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate?
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate has a molecular weight of 251.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate is sourced from PubChem (CID 113357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).