2-(4-amino-2-iodoanilino)-N-tert-butylacetamide

C12H18IN3O — CID 113293139

IUPAC2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(N)cc1I
InChIInChI=1S/C12H18IN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(14)6-9(10)13/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyOSNHMLDRXPHTGH-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide

2-(4-amino-2-iodoanilino)-N-tert-butylacetamide (PubChem CID 113293139) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
PubChem CID113293139
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name2-(4-amino-2-iodoanilino)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ccc(N)cc1I
InChIInChI=1S/C12H18IN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(14)6-9(10)13/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyOSNHMLDRXPHTGH-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.20
H-Bond Donors ≤ 53
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

2-(2-amino-4-fluoroanilino)-N-tert-butylacetamide
CID 115355980
3-(4-amino-2-iodoanilino)-N-methylpropanamide
CID 66092939
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-N-tert-butylacetamide
CID 115356002
N-tert-butyl-2-(4-carbamothioyl-2-fluoroanilino)acetamide
CID 115356360
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-methoxybenzamide
CID 115355845

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide (CID 113293139) is 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1ccc(N)cc1I.
What is the InChIKey of 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide?
The InChIKey is OSNHMLDRXPHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-12(2,3)16-11(17)7-15-10-5-4-8(14)6-9(10)13/h4-6,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide?
2-(4-amino-2-iodoanilino)-N-tert-butylacetamide has a molecular weight of 347.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-iodoanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113293139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).