N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide

C13H17IN2O2 — CID 78773250

IUPACN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(I)cc1)C(N)=O
InChIInChI=1S/C13H17IN2O2/c1-3-8(2)11(12(15)17)16-13(18)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyPTBBOQPUGDHLGK-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.92
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide

N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide (PubChem CID 78773250) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
PubChem CID78773250
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC NameN-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
SMILESCCC(C)C(NC(=O)c1ccc(I)cc1)C(N)=O
InChIInChI=1S/C13H17IN2O2/c1-3-8(2)11(12(15)17)16-13(18)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyPTBBOQPUGDHLGK-UHFFFAOYSA-N
XLogP1.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.92
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-(1-amino-3-methyl-1-oxopentan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 78773214
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 78889210
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
(2-amino-2-oxoethyl) (2R,3R)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2455107
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
N-(1-amino-2-methylbutyl)-4-methylbenzamide
CID 18770723
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78773318
N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
CID 67461997
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide (CID 78773250) is N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide is CCC(C)C(NC(=O)c1ccc(I)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide?
The InChIKey is PTBBOQPUGDHLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-3-8(2)11(12(15)17)16-13(18)9-4-6-10(14)7-5-9/h4-8,11H,3H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide?
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide has a molecular weight of 360.20 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide is sourced from PubChem (CID 78773250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).