(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate

C23H21NO3 — CID 7826713

IUPAC(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c25-22(15-18-7-3-1-4-8-18)24-16-23(26)27-17-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25)
InChIKeyNGAOOWDISQAMHJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.76
Rot. Bonds7

About (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate

(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 7826713) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID7826713
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21NO3/c25-22(15-18-7-3-1-4-8-18)24-16-23(26)27-17-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25)
InChIKeyNGAOOWDISQAMHJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
2-[[4-oxo-4-[(2-oxo-2-phenylmethoxyethyl)amino]butanoyl]amino]acetic acid
CID 139916418
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
benzyl 4-oxo-5-(4-phenylphenyl)pentanoate
CID 167054854
benzyl 2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetate
CID 7980388
(4-cyanophenyl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 2401956
benzyl 2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]acetate
CID 33283682
benzyl 2-benzamidoacetate;ethane
CID 142836612
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
prop-2-ynyl 2-[(2-phenylacetyl)amino]acetate
CID 47105963

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate (CID 7826713) is (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is NGAOOWDISQAMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(15-18-7-3-1-4-8-18)24-16-23(26)27-17-19-11-13-21(14-12-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,24,25).
What are the key properties of (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate?
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 359.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 7826713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).