3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide

C12H16INO2 — CID 14025499

IUPAC3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(I)c(CCC(=O)N(C)C)c1
InChIInChI=1S/C12H16INO2/c1-14(2)12(15)7-4-9-8-10(16-3)5-6-11(9)13/h5-6,8H,4,7H2,1-3H3
InChIKeyMBNJVADUBUKWHC-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.32
Rot. Bonds4

About 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide

3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide (PubChem CID 14025499) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
PubChem CID14025499
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide
SMILESCOc1ccc(I)c(CCC(=O)N(C)C)c1
InChIInChI=1S/C12H16INO2/c1-14(2)12(15)7-4-9-8-10(16-3)5-6-11(9)13/h5-6,8H,4,7H2,1-3H3
InChIKeyMBNJVADUBUKWHC-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(hydroxymethyl)-4-methoxyphenoxy]-N,N-dimethylpropanamide
CID 54879094
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
3-[2-(dimethylamino)-5-methoxyphenyl]propanoic acid
CID 117319605
3-[(2-bromo-5-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65323932
3-[2-(hydroxymethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269047
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
1-iodo-4-methoxy-2-(7-methoxyheptyl)benzene
CID 71011594
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630
N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-3-(2-iodo-5-methoxyphenyl)propanamide
CID 11026837
3-(6-methoxy-1-methylindazol-3-yl)-N,N-dimethylpropanamide
CID 70659969
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]-N-(3-methylbut-2-enyl)acetamide
CID 86760842
3-[3-(2,5-dimethoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228673

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide (CID 14025499) is 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide is COc1ccc(I)c(CCC(=O)N(C)C)c1.
What is the InChIKey of 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide?
The InChIKey is MBNJVADUBUKWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-14(2)12(15)7-4-9-8-10(16-3)5-6-11(9)13/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide?
3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide has a molecular weight of 333.17 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodo-5-methoxyphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 14025499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).