tert-butyl 2-(2-anilinoethylamino)acetate

C14H22N2O2 — CID 69347294

IUPACtert-butyl 2-(2-anilinoethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)11-15-9-10-16-12-7-5-4-6-8-12/h4-8,15-16H,9-11H2,1-3H3
InChIKeyZNPZRMHKFDQNPB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds6

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

tert-butyl 2-(2-anilinoethylamino)acetate (PubChem CID 69347294) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 2-(2-anilinoethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-anilinoethylamino)acetate
PubChem CID69347294
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl 2-(2-anilinoethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCNc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)11-15-9-10-16-12-7-5-4-6-8-12/h4-8,15-16H,9-11H2,1-3H3
InChIKeyZNPZRMHKFDQNPB-UHFFFAOYSA-N
XLogP2.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
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

tert-butyl 2-(2-phenoxyethylamino)acetate
CID 60676799
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
tert-butyl 2-[2-(methylamino)ethylamino]acetate
CID 59921864
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
phenacyl 3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 57134077
tert-butyl 2-[(2-hydroxyphenyl)methylamino]acetate
CID 78994150
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
tert-butyl 2-[(2-amino-3-phenylpropyl)amino]acetate
CID 143401846
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
tert-butyl 2-(3-hydroxyanilino)acetate
CID 68777039

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-anilinoethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-anilinoethylamino)acetate (CID 69347294) is tert-butyl 2-(2-anilinoethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-anilinoethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-anilinoethylamino)acetate is CC(C)(C)OC(=O)CNCCNc1ccccc1.
What is the InChIKey of tert-butyl 2-(2-anilinoethylamino)acetate?
The InChIKey is ZNPZRMHKFDQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)11-15-9-10-16-12-7-5-4-6-8-12/h4-8,15-16H,9-11H2,1-3H3.
What are the key properties of tert-butyl 2-(2-anilinoethylamino)acetate?
tert-butyl 2-(2-anilinoethylamino)acetate has a molecular weight of 250.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-anilinoethylamino)acetate is sourced from PubChem (CID 69347294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).