benzyl 2-[(2-phenylacetyl)amino]acetate

C17H17NO3 — CID 2168453

IUPACbenzyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(11-14-7-3-1-4-8-14)18-12-17(20)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKeyPVXYLVKYEHLEHN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.09
Rot. Bonds6

About benzyl 2-[(2-phenylacetyl)amino]acetate

benzyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 2168453) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID2168453
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(11-14-7-3-1-4-8-14)18-12-17(20)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKeyPVXYLVKYEHLEHN-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
benzyl 2-benzamidoacetate;ethane
CID 142836612
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963
benzyl 2-[(2-tert-butylsulfanylacetyl)amino]acetate
CID 78786053
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
benzyl 2-[(2-propylsulfanylacetyl)amino]acetate
CID 52671611

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of benzyl 2-[(2-phenylacetyl)amino]acetate (CID 2168453) is benzyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for benzyl 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is PVXYLVKYEHLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(11-14-7-3-1-4-8-14)18-12-17(20)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19).
What are the key properties of benzyl 2-[(2-phenylacetyl)amino]acetate?
benzyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 283.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 2168453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).