4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid

C18H19NO4 — CID 119038942

IUPAC4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
SMILESCOC(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-23-16(14-5-3-2-4-6-14)17(20)19-12-11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyNFCGGVBMVGCSCY-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.43
Rot. Bonds7

About 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid

4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid (PubChem CID 119038942) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
PubChem CID119038942
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
SMILESCOC(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-23-16(14-5-3-2-4-6-14)17(20)19-12-11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyNFCGGVBMVGCSCY-UHFFFAOYSA-N
XLogP2.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(4-acetamidophenyl)ethyl]-2-methoxy-2-phenylacetamide
CID 95316508
(2R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 94878697
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
4-[2-(2-methoxypropylcarbamoylamino)ethyl]benzoic acid
CID 102699691
methyl 4-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]benzoate
CID 119701393
2-methoxy-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-phenylacetamide
CID 90651915
2-[[(2-methoxy-2-phenylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65219999

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid (CID 119038942) is 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid is COC(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid?
The InChIKey is NFCGGVBMVGCSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-16(14-5-3-2-4-6-14)17(20)19-12-11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid?
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 119038942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).