tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate

C21H36N2O4 — CID 70912107

IUPACtert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate
SMILESCOc1ccc(COCCNCCC(C)CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H36N2O4/c1-17(14-23-15-20(24)27-21(2,3)4)10-11-22-12-13-26-16-18-6-8-19(25-5)9-7-18/h6-9,17,22-23H,10-16H2,1-5H3
InChIKeyWZWTZJBTTVHDKL-UHFFFAOYSA-N
MW380.53 g/mol
LogP2.76
Rot. Bonds13

About tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate

tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate (PubChem CID 70912107) has the molecular formula C21H36N2O4 and a molecular weight of 380.53 g/mol. Its IUPAC name is tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate
PubChem CID70912107
Molecular FormulaC21H36N2O4
Molecular Weight380.53 g/mol
Exact Mass380.27
IUPAC Nametert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate
SMILESCOc1ccc(COCCNCCC(C)CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C21H36N2O4/c1-17(14-23-15-20(24)27-21(2,3)4)10-11-22-12-13-26-16-18-6-8-19(25-5)9-7-18/h6-9,17,22-23H,10-16H2,1-5H3
InChIKeyWZWTZJBTTVHDKL-UHFFFAOYSA-N
XLogP2.76
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate 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

tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
CID 11278776
methyl (3S,6R)-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-6-methylheptanoate
CID 10063989
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
N-[3-[(4-methoxyphenyl)methoxy]propyl]-2-methylpropan-1-amine
CID 62456313
tert-butyl (2S)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133636
tert-butyl (2R)-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 94133637
methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
CID 11550899
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673
dimethyl 2-methoxy-2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]phenyl]methyl]propanedioate
CID 68792352
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
CID 155933233

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate (CID 70912107) is tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate is COc1ccc(COCCNCCC(C)CNCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate?
The InChIKey is WZWTZJBTTVHDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O4/c1-17(14-23-15-20(24)27-21(2,3)4)10-11-22-12-13-26-16-18-6-8-19(25-5)9-7-18/h6-9,17,22-23H,10-16H2,1-5H3.
What are the key properties of tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate?
tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate has a molecular weight of 380.53 g/mol, XLogP of 2.76, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[2-[(4-methoxyphenyl)methoxy]ethylamino]-2-methylbutyl]amino]acetate is sourced from PubChem (CID 70912107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).