methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate

C15H24N2O2 — CID 107445566

IUPACmethyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NCCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-11-10-16-13(14(18)19-4)12-8-6-5-7-9-12/h5-9,13,16-17H,10-11H2,1-4H3
InChIKeyYNTOGUBLOXXKBC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds6

About methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate

methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate (PubChem CID 107445566) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
PubChem CID107445566
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NCCNC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17-11-10-16-13(14(18)19-4)12-8-6-5-7-9-12/h5-9,13,16-17H,10-11H2,1-4H3
InChIKeyYNTOGUBLOXXKBC-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-tert-butylsulfonylethylamino)-2-phenylacetate
CID 106723580
methyl 2-[(3-cyano-3-methylbutyl)amino]-2-phenylacetate
CID 65248418
methyl (2S)-2-[(3-oxo-3-phenylpropyl)amino]-2-phenylacetate
CID 11770950
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-(4-methylsulfanylbutylamino)-2-phenylacetate
CID 103087976
methyl 2-(3-ethoxypropylamino)-2-phenylacetate
CID 60647695
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 2-(tert-butylcarbamoylamino)-2-phenylacetate
CID 62115093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate (CID 107445566) is methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate is COC(=O)C(NCCNC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate?
The InChIKey is YNTOGUBLOXXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)17-11-10-16-13(14(18)19-4)12-8-6-5-7-9-12/h5-9,13,16-17H,10-11H2,1-4H3.
What are the key properties of methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate?
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate has a molecular weight of 264.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate is sourced from PubChem (CID 107445566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).