3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid

C20H23NO4 — CID 119252327

IUPAC3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCC(C)Oc1cccc(CC(=O)Nc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14(2)25-18-5-3-4-16(12-18)13-19(22)21-17-9-6-15(7-10-17)8-11-20(23)24/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDUGMYGUHEQBXOT-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds8

About 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid

3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid (PubChem CID 119252327) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
PubChem CID119252327
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
SMILESCC(C)Oc1cccc(CC(=O)Nc2ccc(CCC(=O)O)cc2)c1
InChIInChI=1S/C20H23NO4/c1-14(2)25-18-5-3-4-16(12-18)13-19(22)21-17-9-6-15(7-10-17)8-11-20(23)24/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDUGMYGUHEQBXOT-UHFFFAOYSA-N
XLogP3.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772
2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
CID 119240314
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
N-[3-(3-phenylpropanoylamino)phenyl]-3-propan-2-yloxybenzamide
CID 17222980
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid (CID 119252327) is 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid is CC(C)Oc1cccc(CC(=O)Nc2ccc(CCC(=O)O)cc2)c1.
What is the InChIKey of 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid?
The InChIKey is DUGMYGUHEQBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)25-18-5-3-4-16(12-18)13-19(22)21-17-9-6-15(7-10-17)8-11-20(23)24/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid?
3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 119252327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).