benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate

C21H25NO4 — CID 55491511

IUPACbenzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
SMILESCCC(C)c1ccccc1OCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-3-16(2)18-11-7-8-12-19(18)25-15-20(23)22-13-21(24)26-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyYTPRPEHYPQJMGF-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.44
Rot. Bonds9

About benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate

benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate (PubChem CID 55491511) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
PubChem CID55491511
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namebenzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate
SMILESCCC(C)c1ccccc1OCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-3-16(2)18-11-7-8-12-19(18)25-15-20(23)22-13-21(24)26-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,23)
InChIKeyYTPRPEHYPQJMGF-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935783
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
N-(2-amino-2-ethylbutyl)-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119642652
5-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]furan-2-carboxylic acid
CID 125118561
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 42990078
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
benzyl N-[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamate
CID 4935782
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
N'-[2-(2-butan-2-ylphenoxy)acetyl]hexanehydrazide
CID 4955561
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 86907773
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate (CID 55491511) is benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate is CCC(C)c1ccccc1OCC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate?
The InChIKey is YTPRPEHYPQJMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-16(2)18-11-7-8-12-19(18)25-15-20(23)22-13-21(24)26-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,22,23).
What are the key properties of benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate?
benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate has a molecular weight of 355.43 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 55491511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).