tert-butyl 2-(2-phenoxyethylamino)acetate

C14H21NO3 — CID 60676799

IUPACtert-butyl 2-(2-phenoxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCOc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)11-15-9-10-17-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyCWFCOGQPNCZRJW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds6

About tert-butyl 2-(2-phenoxyethylamino)acetate

tert-butyl 2-(2-phenoxyethylamino)acetate (PubChem CID 60676799) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-(2-phenoxyethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-phenoxyethylamino)acetate
PubChem CID60676799
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 2-(2-phenoxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCOc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)11-15-9-10-17-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3
InChIKeyCWFCOGQPNCZRJW-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
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

2-methoxy-2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]phenyl]methyl]propanedioic acid
CID 68792350
2-(2-phenoxyethylamino)acetic acid
CID 13236095
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
dimethyl 2-methoxy-2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]phenyl]methyl]propanedioate
CID 68792352
N-ethyl-2-(2-phenoxyethylamino)acetamide
CID 60674230
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
2,3-dimethyl-1-(2-phenoxyethylamino)butan-2-ol
CID 114447528
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
tert-butyl N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111006689
phenacyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 57134077
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-phenoxyethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-phenoxyethylamino)acetate (CID 60676799) is tert-butyl 2-(2-phenoxyethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-phenoxyethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-phenoxyethylamino)acetate is CC(C)(C)OC(=O)CNCCOc1ccccc1.
What is the InChIKey of tert-butyl 2-(2-phenoxyethylamino)acetate?
The InChIKey is CWFCOGQPNCZRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)11-15-9-10-17-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3.
What are the key properties of tert-butyl 2-(2-phenoxyethylamino)acetate?
tert-butyl 2-(2-phenoxyethylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-phenoxyethylamino)acetate is sourced from PubChem (CID 60676799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).