N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C17H18INO4 — CID 26517733

IUPACN-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(I)c2)cc(OC)c1OC
InChIInChI=1S/C17H18INO4/c1-21-14-7-11(8-15(22-2)17(14)23-3)9-16(20)19-13-6-4-5-12(18)10-13/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyUPEYBOYKAVHCNB-UHFFFAOYSA-N
MW427.24 g/mol
LogP3.50
Rot. Bonds6

About N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 26517733) has the molecular formula C17H18INO4 and a molecular weight of 427.24 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID26517733
Molecular FormulaC17H18INO4
Molecular Weight427.24 g/mol
Exact Mass427.03
IUPAC NameN-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2cccc(I)c2)cc(OC)c1OC
InChIInChI=1S/C17H18INO4/c1-21-14-7-11(8-15(22-2)17(14)23-3)9-16(20)19-13-6-4-5-12(18)10-13/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyUPEYBOYKAVHCNB-UHFFFAOYSA-N
XLogP3.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 39991372
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
N-pyridin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27700068
2,2-dimethyl-N-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]propanamide
CID 30671146
N-[3-(difluoromethoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55742320
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121
N-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2665020
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
N-(2-anilino-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55836388
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 26517733) is N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2cccc(I)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is UPEYBOYKAVHCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO4/c1-21-14-7-11(8-15(22-2)17(14)23-3)9-16(20)19-13-6-4-5-12(18)10-13/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 427.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 26517733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).