N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide

C14H21IN2O — CID 119641175

IUPACN-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(C)ccc1I
InChIInChI=1S/C14H21IN2O/c1-4-14(16,5-2)9-17-13(18)11-8-10(3)6-7-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyXWWJWCWAZYDZLZ-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.85
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide

N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide (PubChem CID 119641175) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide
PubChem CID119641175
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC NameN-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide
SMILESCCC(N)(CC)CNC(=O)c1cc(C)ccc1I
InChIInChI=1S/C14H21IN2O/c1-4-14(16,5-2)9-17-13(18)11-8-10(3)6-7-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18)
InChIKeyXWWJWCWAZYDZLZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.85
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

N-(2-amino-2-ethylbutyl)-2-bromo-5-iodobenzamide
CID 114026196
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
N-(2-amino-2-ethylbutyl)-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide
CID 119644009
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
N-(2-amino-2-ethylbutyl)-2-methylsulfonylbenzamide
CID 119640864

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide (CID 119641175) is N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide is CCC(N)(CC)CNC(=O)c1cc(C)ccc1I.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide?
The InChIKey is XWWJWCWAZYDZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-4-14(16,5-2)9-17-13(18)11-8-10(3)6-7-12(11)15/h6-8H,4-5,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide?
N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide has a molecular weight of 360.24 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide is sourced from PubChem (CID 119641175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).