ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate

C17H27NO2 — CID 78957165

IUPACethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
SMILESCCOC(=O)CN(CCC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-20-16(19)14-18(12-11-17(2,3)4)13-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyIEZUAMPJHMKRHA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.49
Rot. Bonds7

About ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate

ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate (PubChem CID 78957165) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
PubChem CID78957165
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
SMILESCCOC(=O)CN(CCC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C17H27NO2/c1-5-20-16(19)14-18(12-11-17(2,3)4)13-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyIEZUAMPJHMKRHA-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
4-[benzyl-(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
CID 175214762
(3S)-5-[benzyl-(2-ethoxy-2-oxoethyl)amino]-3-methylpentanoic acid
CID 174596375
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
ethyl 2-[benzyl(pyrrolidin-1-ylmethyl)amino]acetate
CID 174861955
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate (CID 78957165) is ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate is CCOC(=O)CN(CCC(C)(C)C)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate?
The InChIKey is IEZUAMPJHMKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-16(19)14-18(12-11-17(2,3)4)13-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3.
What are the key properties of ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate?
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate has a molecular weight of 277.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate is sourced from PubChem (CID 78957165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).