methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate

C17H27NO2 — CID 61036084

IUPACmethyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-11-18(13-16(19)20-5)12-14-7-9-15(10-8-14)17(2,3)4/h7-10H,6,11-13H2,1-5H3
InChIKeyYFMZEYASJPXBDT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.37
Rot. Bonds6

About methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate

methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate (PubChem CID 61036084) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
PubChem CID61036084
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namemethyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-6-11-18(13-16(19)20-5)12-14-7-9-15(10-8-14)17(2,3)4/h7-10H,6,11-13H2,1-5H3
InChIKeyYFMZEYASJPXBDT-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 2-[3-[(4-tert-butylphenyl)methyl-methylamino]propyl-methylamino]acetate
CID 126761416
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39379496
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]acetamide
CID 56815802
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 60504028
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131
methyl 2-[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]acetate
CID 110908434
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
methyl 2-[(5-bromothiophen-3-yl)methyl-propylamino]acetate
CID 62011184
methyl 2-[[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl-[4-(dipropylamino)butyl]amino]acetate
CID 67103541

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate (CID 61036084) is methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate?
The InChIKey is YFMZEYASJPXBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-11-18(13-16(19)20-5)12-14-7-9-15(10-8-14)17(2,3)4/h7-10H,6,11-13H2,1-5H3.
What are the key properties of methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate?
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate has a molecular weight of 277.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate is sourced from PubChem (CID 61036084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).