2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid

C20H23NO6 — CID 119197685

IUPAC2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cccc(CC(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H23NO6/c1-25-16-6-4-5-14(7-16)10-19(22)21(13-20(23)24)12-15-8-17(26-2)11-18(9-15)27-3/h4-9,11H,10,12-13H2,1-3H3,(H,23,24)
InChIKeyVRMXVNPGQHWITN-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.37
Rot. Bonds9

About 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid (PubChem CID 119197685) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
PubChem CID119197685
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cccc(CC(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H23NO6/c1-25-16-6-4-5-14(7-16)10-19(22)21(13-20(23)24)12-15-8-17(26-2)11-18(9-15)27-3/h4-9,11H,10,12-13H2,1-3H3,(H,23,24)
InChIKeyVRMXVNPGQHWITN-UHFFFAOYSA-N
XLogP2.37
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[benzyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 119196911
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 119193500
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
CID 119197747
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
CID 63395047
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid (CID 119197685) is 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid is COc1cccc(CC(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid?
The InChIKey is VRMXVNPGQHWITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-25-16-6-4-5-14(7-16)10-19(22)21(13-20(23)24)12-15-8-17(26-2)11-18(9-15)27-3/h4-9,11H,10,12-13H2,1-3H3,(H,23,24).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119197685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).