2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid

C19H21NO6 — CID 119351773

IUPAC2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)Nc2cccc(CC(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-24-15-8-13(9-16(25-2)19(15)26-3)10-17(21)20-14-6-4-5-12(7-14)11-18(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyBXMOFGJFIWGODK-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.52
Rot. Bonds8

About 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid (PubChem CID 119351773) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
PubChem CID119351773
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
SMILESCOc1cc(CC(=O)Nc2cccc(CC(=O)O)c2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-24-15-8-13(9-16(25-2)19(15)26-3)10-17(21)20-14-6-4-5-12(7-14)11-18(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyBXMOFGJFIWGODK-UHFFFAOYSA-N
XLogP2.52
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26517733
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 30671146
2-[2-fluoro-4-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 122110129
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
2-[2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218478
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid (CID 119351773) is 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid is COc1cc(CC(=O)Nc2cccc(CC(=O)O)c2)cc(OC)c1OC.
What is the InChIKey of 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is BXMOFGJFIWGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-15-8-13(9-16(25-2)19(15)26-3)10-17(21)20-14-6-4-5-12(7-14)11-18(22)23/h4-9H,10-11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).