2-amino-N-(3-iodo-4-methylphenyl)hexanamide

C13H19IN2O — CID 60853696

IUPAC2-amino-N-(3-iodo-4-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C13H19IN2O/c1-3-4-5-12(15)13(17)16-10-7-6-9(2)11(14)8-10/h6-8,12H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyYYCACECNFFXSAX-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.06
Rot. Bonds5

About 2-amino-N-(3-iodo-4-methylphenyl)hexanamide

2-amino-N-(3-iodo-4-methylphenyl)hexanamide (PubChem CID 60853696) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-amino-N-(3-iodo-4-methylphenyl)hexanamide.

Molecular Properties

Compound Name2-amino-N-(3-iodo-4-methylphenyl)hexanamide
PubChem CID60853696
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-amino-N-(3-iodo-4-methylphenyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C13H19IN2O/c1-3-4-5-12(15)13(17)16-10-7-6-9(2)11(14)8-10/h6-8,12H,3-5,15H2,1-2H3,(H,16,17)
InChIKeyYYCACECNFFXSAX-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 107145713
2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 64782247
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
4-[[(2S)-2-aminohexanoyl]amino]-2-hydroxybenzoic acid
CID 107144725
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)hexanamide?
The IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)hexanamide (CID 60853696) is 2-amino-N-(3-iodo-4-methylphenyl)hexanamide.
What is the SMILES notation for 2-amino-N-(3-iodo-4-methylphenyl)hexanamide?
The canonical SMILES for 2-amino-N-(3-iodo-4-methylphenyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(C)c(I)c1.
What is the InChIKey of 2-amino-N-(3-iodo-4-methylphenyl)hexanamide?
The InChIKey is YYCACECNFFXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-3-4-5-12(15)13(17)16-10-7-6-9(2)11(14)8-10/h6-8,12H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(3-iodo-4-methylphenyl)hexanamide?
2-amino-N-(3-iodo-4-methylphenyl)hexanamide has a molecular weight of 346.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-iodo-4-methylphenyl)hexanamide is sourced from PubChem (CID 60853696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).