3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide

C18H20INO3 — CID 19221776

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C18H20INO3/c1-3-23-16-10-4-13(12-17(16)22-2)5-11-18(21)20-15-8-6-14(19)7-9-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,20,21)
InChIKeyBJJBNJXGGRDQKD-UHFFFAOYSA-N
MW425.27 g/mol
LogP4.27
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide (PubChem CID 19221776) has the molecular formula C18H20INO3 and a molecular weight of 425.27 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
PubChem CID19221776
Molecular FormulaC18H20INO3
Molecular Weight425.27 g/mol
Exact Mass425.05
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1OC
InChIInChI=1S/C18H20INO3/c1-3-23-16-10-4-13(12-17(16)22-2)5-11-18(21)20-15-8-6-14(19)7-9-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,20,21)
InChIKeyBJJBNJXGGRDQKD-UHFFFAOYSA-N
XLogP4.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221846
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684
3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108933802
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
4-(3,4-dimethoxyphenyl)-N-(4-ethoxyphenyl)butanamide
CID 110422258
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide (CID 19221776) is 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide is CCOc1ccc(CCC(=O)Nc2ccc(I)cc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide?
The InChIKey is BJJBNJXGGRDQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO3/c1-3-23-16-10-4-13(12-17(16)22-2)5-11-18(21)20-15-8-6-14(19)7-9-15/h4,6-10,12H,3,5,11H2,1-2H3,(H,20,21).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide has a molecular weight of 425.27 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-(4-iodophenyl)propanamide is sourced from PubChem (CID 19221776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).