2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide

C13H19IN2O — CID 114257320

IUPAC2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C13H19IN2O/c1-4-7-13(3,15)12(17)16-11-8-10(14)6-5-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyOBLCAZLSUQYZAV-UHFFFAOYSA-N
MW346.21 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide

2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide (PubChem CID 114257320) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
PubChem CID114257320
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(I)ccc1C
InChIInChI=1S/C13H19IN2O/c1-4-7-13(3,15)12(17)16-11-8-10(14)6-5-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyOBLCAZLSUQYZAV-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-(2-bromo-5-iodophenyl)-2-methylpentanamide
CID 114259858
3-[(2-amino-2-methylpentanoyl)amino]-4-methylbenzamide;hydrochloride
CID 119711744
2-amino-2-methyl-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 60846841
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2-amino-N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82757643
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-amino-N-(5-fluoro-2-methylphenyl)-2-methylbutanamide
CID 79796953
N-(5-iodo-2-methylphenyl)pentanamide
CID 130168054
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-2-methylpentanamide
CID 113445510

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide (CID 114257320) is 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(I)ccc1C.
What is the InChIKey of 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide?
The InChIKey is OBLCAZLSUQYZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-4-7-13(3,15)12(17)16-11-8-10(14)6-5-9(11)2/h5-6,8H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide?
2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide has a molecular weight of 346.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-iodo-2-methylphenyl)-2-methylpentanamide is sourced from PubChem (CID 114257320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).