methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate

C19H32N2O2 — CID 126761416

IUPACmethyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCCN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-19(2,3)17-10-8-16(9-11-17)14-20(4)12-7-13-21(5)15-18(22)23-6/h8-11H,7,12-15H2,1-6H3
InChIKeyLVYJUTAXVFXNIL-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.91
Rot. Bonds8

About methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate

methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate (PubChem CID 126761416) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
PubChem CID126761416
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Namemethyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
SMILESCOC(=O)CN(C)CCCN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H32N2O2/c1-19(2,3)17-10-8-16(9-11-17)14-20(4)12-7-13-21(5)15-18(22)23-6/h8-11H,7,12-15H2,1-6H3
InChIKeyLVYJUTAXVFXNIL-UHFFFAOYSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[methyl(3-phenylpropyl)amino]acetate
CID 60697820
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate?
The IUPAC name of methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate (CID 126761416) is methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate?
The canonical SMILES for methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate is COC(=O)CN(C)CCCN(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate?
The InChIKey is LVYJUTAXVFXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-19(2,3)17-10-8-16(9-11-17)14-20(4)12-7-13-21(5)15-18(22)23-6/h8-11H,7,12-15H2,1-6H3.
What are the key properties of methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate?
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate has a molecular weight of 320.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate is sourced from PubChem (CID 126761416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).