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

C12H17IN2O — CID 81075652

IUPAC4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(I)ccc1NC(=O)CC(C)CN
InChIInChI=1S/C12H17IN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyVBMLOOBKLNYBMX-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.52
Rot. Bonds4

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

4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide (PubChem CID 81075652) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
PubChem CID81075652
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
SMILESCc1cc(I)ccc1NC(=O)CC(C)CN
InChIInChI=1S/C12H17IN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyVBMLOOBKLNYBMX-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
5-(5-iodo-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 114257128
(2S)-2-amino-N-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961519
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide (CID 81075652) is 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide is Cc1cc(I)ccc1NC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
The InChIKey is VBMLOOBKLNYBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-8(7-14)5-12(16)15-11-4-3-10(13)6-9(11)2/h3-4,6,8H,5,7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide?
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide has a molecular weight of 332.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 81075652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).