3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide

C13H19IN2O — CID 65264488

IUPAC3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C13H19IN2O/c1-12(2,13(3,4)15)11(17)16-10-8-6-5-7-9(10)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySVFIUHQFKULDKT-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.99
Rot. Bonds3

About 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide (PubChem CID 65264488) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
PubChem CID65264488
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C13H19IN2O/c1-12(2,13(3,4)15)11(17)16-10-8-6-5-7-9(10)14/h5-8H,15H2,1-4H3,(H,16,17)
InChIKeySVFIUHQFKULDKT-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.99
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-(2-iodophenyl)-2-methylpropanamide
CID 61264402
3-amino-N-(3-iodo-2-methylphenyl)-2,2,3-trimethylbutanamide
CID 114257208
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
2-(4-aminophenyl)-N-(2-iodophenyl)-2-methylpropanamide
CID 80555846
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-[(2-iodophenyl)carbamoylamino]-2-methylpropanoic acid
CID 61264191
N-(2-iodophenyl)-4,4-dimethylpent-2-ynamide
CID 15371892

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide (CID 65264488) is 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1ccccc1I.
What is the InChIKey of 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide?
The InChIKey is SVFIUHQFKULDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-12(2,13(3,4)15)11(17)16-10-8-6-5-7-9(10)14/h5-8H,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide has a molecular weight of 346.21 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).