2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid

C19H21NO5 — CID 119352036

IUPAC2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C19H21NO5/c1-24-16-7-8-17(25-2)14(12-16)6-9-18(21)20-15-5-3-4-13(10-15)11-19(22)23/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyTZIDFYPNTDGEHP-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.90
Rot. Bonds8

About 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid

2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid (PubChem CID 119352036) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
PubChem CID119352036
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid
SMILESCOc1ccc(OC)c(CCC(=O)Nc2cccc(CC(=O)O)c2)c1
InChIInChI=1S/C19H21NO5/c1-24-16-7-8-17(25-2)14(12-16)6-9-18(21)20-15-5-3-4-13(10-15)11-19(22)23/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyTZIDFYPNTDGEHP-UHFFFAOYSA-N
XLogP2.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-N-[3-(methoxymethyl)phenyl]propanamide
CID 100562291
N-[2-(3-chloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylpropanamide
CID 38621423
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid (CID 119352036) is 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid is COc1ccc(OC)c(CCC(=O)Nc2cccc(CC(=O)O)c2)c1.
What is the InChIKey of 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid?
The InChIKey is TZIDFYPNTDGEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-24-16-7-8-17(25-2)14(12-16)6-9-18(21)20-15-5-3-4-13(10-15)11-19(22)23/h3-5,7-8,10,12H,6,9,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid?
2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,5-dimethoxyphenyl)propanoylamino]phenyl]acetic acid is sourced from PubChem (CID 119352036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).