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

C11H15IN2O — CID 43707975

IUPAC2-amino-N-(3-iodo-4-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C11H15IN2O/c1-3-10(13)11(15)14-8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3,(H,14,15)
InChIKeyVHHYQXGHESCOEB-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.28
Rot. Bonds3

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

2-amino-N-(3-iodo-4-methylphenyl)butanamide (PubChem CID 43707975) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-amino-N-(3-iodo-4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-iodo-4-methylphenyl)butanamide
PubChem CID43707975
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name2-amino-N-(3-iodo-4-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C11H15IN2O/c1-3-10(13)11(15)14-8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3,(H,14,15)
InChIKeyVHHYQXGHESCOEB-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.28
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)hexanamide
CID 60853696
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668
5-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023087
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
4-[[(2S)-2-aminobutanoyl]amino]-2-methylbenzoic acid
CID 79023128
2-amino-N-(4-methyl-3-nitrophenyl)butanamide
CID 43649478
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
(2S)-2-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 79024115
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2-amino-N-(3-methylphenyl)butanamide
CID 43649463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)butanamide?
The IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)butanamide (CID 43707975) is 2-amino-N-(3-iodo-4-methylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-iodo-4-methylphenyl)butanamide?
The canonical SMILES for 2-amino-N-(3-iodo-4-methylphenyl)butanamide is CCC(N)C(=O)Nc1ccc(C)c(I)c1.
What is the InChIKey of 2-amino-N-(3-iodo-4-methylphenyl)butanamide?
The InChIKey is VHHYQXGHESCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-3-10(13)11(15)14-8-5-4-7(2)9(12)6-8/h4-6,10H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(3-iodo-4-methylphenyl)butanamide?
2-amino-N-(3-iodo-4-methylphenyl)butanamide has a molecular weight of 318.16 g/mol, XLogP of 2.28, 3 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)butanamide is sourced from PubChem (CID 43707975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).