2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid

C19H21NO4 — CID 119113417

IUPAC2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCC(C)c1ccc(OCC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)14-8-10-16(11-9-14)24-12-17(21)20-18(19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFYIQLMKZBSZUKG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds7

About 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid

2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid (PubChem CID 119113417) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
PubChem CID119113417
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCC(C)c1ccc(OCC(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-13(2)14-8-10-16(11-9-14)24-12-17(21)20-18(19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFYIQLMKZBSZUKG-UHFFFAOYSA-N
XLogP3.13
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
N-(4-hydroxybutan-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 81042144
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
CID 119372482
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid (CID 119113417) is 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid is CC(C)c1ccc(OCC(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The InChIKey is FYIQLMKZBSZUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)14-8-10-16(11-9-14)24-12-17(21)20-18(19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119113417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).