tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate

C14H21ClN2O3 — CID 174415790

IUPACtert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate
SMILESCCOc1cc(Cl)ccc1NC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O3/c1-5-19-11-8-9(15)6-7-10(11)17-12(16)13(18)20-14(2,3)4/h6-8,12,17H,5,16H2,1-4H3
InChIKeyBJTYBHDADXHTIO-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate

tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate (PubChem CID 174415790) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate
PubChem CID174415790
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Nametert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate
SMILESCCOc1cc(Cl)ccc1NC(N)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O3/c1-5-19-11-8-9(15)6-7-10(11)17-12(16)13(18)20-14(2,3)4/h6-8,12,17H,5,16H2,1-4H3
InChIKeyBJTYBHDADXHTIO-UHFFFAOYSA-N
XLogP2.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-chloro-2-ethoxyphenyl)acetamide;hydrochloride
CID 119337558
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl 2-(2,5-dichloroanilino)propanoate
CID 66337577
tert-butyl N-[2-(2-ethoxy-4-fluoroanilino)propyl]carbamate
CID 103388683
4-chloro-2-ethoxybenzamide
CID 126998915
ethyl 2-amino-2-(5-chloro-2-ethoxyphenyl)propanoate
CID 4026471
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
2-amino-N-(5-chloro-2-ethoxyphenyl)-4-methylpentanamide
CID 54862650
N-(5-chloro-2-ethoxyphenyl)-2-methoxypropanamide
CID 112685938
tert-butyl 2-chloro-2-(2,4-dichlorophenyl)acetate
CID 54191230
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258
tert-butyl (2R)-2-(2-amino-5-chlorophenyl)-2-hydroxyacetate
CID 97304989

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate?
The IUPAC name of tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate (CID 174415790) is tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate is CCOc1cc(Cl)ccc1NC(N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate?
The InChIKey is BJTYBHDADXHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-5-19-11-8-9(15)6-7-10(11)17-12(16)13(18)20-14(2,3)4/h6-8,12,17H,5,16H2,1-4H3.
What are the key properties of tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate?
tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate has a molecular weight of 300.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(4-chloro-2-ethoxyanilino)acetate is sourced from PubChem (CID 174415790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).