3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide

C11H16IN3O — CID 66092727

IUPAC3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(N)cc1I
InChIInChI=1S/C11H16IN3O/c1-15(2)11(16)5-6-14-10-4-3-8(13)7-9(10)12/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyWJMVYZLOZCMSIO-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.76
Rot. Bonds4

About 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide

3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide (PubChem CID 66092727) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
PubChem CID66092727
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(N)cc1I
InChIInChI=1S/C11H16IN3O/c1-15(2)11(16)5-6-14-10-4-3-8(13)7-9(10)12/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyWJMVYZLOZCMSIO-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
CID 113293139
3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
2-iodo-1-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763208
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894
3-(4-amino-2-iodoanilino)propane-1-sulfonamide
CID 66093146
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide (CID 66092727) is 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(N)cc1I.
What is the InChIKey of 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide?
The InChIKey is WJMVYZLOZCMSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-15(2)11(16)5-6-14-10-4-3-8(13)7-9(10)12/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide?
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide has a molecular weight of 333.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 66092727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).