tert-butyl 2-[4-(dimethylamino)anilino]acetate

C14H22N2O2 — CID 19001978

IUPACtert-butyl 2-[4-(dimethylamino)anilino]acetate
SMILESCN(C)c1ccc(NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)10-15-11-6-8-12(9-7-11)16(4)5/h6-9,15H,10H2,1-5H3
InChIKeyKWAAADHFCWYNPU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.51
Rot. Bonds4

About tert-butyl 2-[4-(dimethylamino)anilino]acetate

tert-butyl 2-[4-(dimethylamino)anilino]acetate (PubChem CID 19001978) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 2-[4-(dimethylamino)anilino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(dimethylamino)anilino]acetate
PubChem CID19001978
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nametert-butyl 2-[4-(dimethylamino)anilino]acetate
SMILESCN(C)c1ccc(NCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)10-15-11-6-8-12(9-7-11)16(4)5/h6-9,15H,10H2,1-5H3
InChIKeyKWAAADHFCWYNPU-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
2-[4-(dimethylamino)anilino]-N-ethyl-N-methylacetamide
CID 43617050
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
3-[4-(dimethylamino)anilino]-2-hydroxy-2-methylpropanoic acid
CID 104643991
methyl 4-[4-(dimethylamino)anilino]butanoate
CID 43617051
2-[4-(dimethylamino)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 60685378
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(dimethylamino)anilino]acetate?
The IUPAC name of tert-butyl 2-[4-(dimethylamino)anilino]acetate (CID 19001978) is tert-butyl 2-[4-(dimethylamino)anilino]acetate.
What is the SMILES notation for tert-butyl 2-[4-(dimethylamino)anilino]acetate?
The canonical SMILES for tert-butyl 2-[4-(dimethylamino)anilino]acetate is CN(C)c1ccc(NCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[4-(dimethylamino)anilino]acetate?
The InChIKey is KWAAADHFCWYNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)10-15-11-6-8-12(9-7-11)16(4)5/h6-9,15H,10H2,1-5H3.
What are the key properties of tert-butyl 2-[4-(dimethylamino)anilino]acetate?
tert-butyl 2-[4-(dimethylamino)anilino]acetate has a molecular weight of 250.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(dimethylamino)anilino]acetate is sourced from PubChem (CID 19001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).