tert-butyl 2-[(4-butylphenyl)methylamino]acetate

C17H27NO2 — CID 68600111

IUPACtert-butyl 2-[(4-butylphenyl)methylamino]acetate
SMILESCCCCc1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-14-8-10-15(11-9-14)12-18-13-16(19)20-17(2,3)4/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyWYBOAJYKHJQMBP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds7

About tert-butyl 2-[(4-butylphenyl)methylamino]acetate

tert-butyl 2-[(4-butylphenyl)methylamino]acetate (PubChem CID 68600111) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is tert-butyl 2-[(4-butylphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4-butylphenyl)methylamino]acetate
PubChem CID68600111
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nametert-butyl 2-[(4-butylphenyl)methylamino]acetate
SMILESCCCCc1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-5-6-7-14-8-10-15(11-9-14)12-18-13-16(19)20-17(2,3)4/h8-11,18H,5-7,12-13H2,1-4H3
InChIKeyWYBOAJYKHJQMBP-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
tert-butyl 2-[[4-(2-methylsulfonyloxyethyl)phenyl]methylamino]acetate
CID 87200033
2-[(4-butylphenyl)methylamino]acetic acid
CID 16658344
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
tert-butyl 3-[4-(propylaminomethyl)phenyl]propanoate
CID 164606764
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-butylphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(4-butylphenyl)methylamino]acetate (CID 68600111) is tert-butyl 2-[(4-butylphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(4-butylphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(4-butylphenyl)methylamino]acetate is CCCCc1ccc(CNCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[(4-butylphenyl)methylamino]acetate?
The InChIKey is WYBOAJYKHJQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-6-7-14-8-10-15(11-9-14)12-18-13-16(19)20-17(2,3)4/h8-11,18H,5-7,12-13H2,1-4H3.
What are the key properties of tert-butyl 2-[(4-butylphenyl)methylamino]acetate?
tert-butyl 2-[(4-butylphenyl)methylamino]acetate has a molecular weight of 277.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-butylphenyl)methylamino]acetate is sourced from PubChem (CID 68600111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).