2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid

C18H19NO4 — CID 66812487

IUPAC2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
SMILESCC(COc1ccc(C(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(14-5-3-2-4-6-14)12-23-16-9-7-15(8-10-16)18(22)19-11-17(20)21/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyVZFULHJDIXLAEQ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.68
Rot. Bonds7

About 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid

2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid (PubChem CID 66812487) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
PubChem CID66812487
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid
SMILESCC(COc1ccc(C(=O)NCC(=O)O)cc1)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-13(14-5-3-2-4-6-14)12-23-16-9-7-15(8-10-16)18(22)19-11-17(20)21/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyVZFULHJDIXLAEQ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 2265354
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
2-benzamidoacetic acid;hydrofluoride
CID 174760685
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
4-(1-phenoxypropan-2-yl)-N-[(2,4,6-trimethyl-1,2-dihydropyridin-3-yl)methyl]benzamide
CID 118562885
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
[(1S)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884561
[(1R)-2-oxo-1,2-diphenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884562
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid (CID 66812487) is 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid is CC(COc1ccc(C(=O)NCC(=O)O)cc1)c1ccccc1.
What is the InChIKey of 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid?
The InChIKey is VZFULHJDIXLAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(14-5-3-2-4-6-14)12-23-16-9-7-15(8-10-16)18(22)19-11-17(20)21/h2-10,13H,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid?
2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid has a molecular weight of 313.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-phenylpropoxy)benzoyl]amino]acetic acid is sourced from PubChem (CID 66812487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).