N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride

C13H20ClIN2O3 — CID 119629327

IUPACN-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(I)c(C(=O)NCC(C)(C)N)cc1OC.Cl
InChIInChI=1S/C13H19IN2O3.ClH/c1-13(2,15)7-16-12(17)8-5-10(18-3)11(19-4)6-9(8)14;/h5-6H,7,15H2,1-4H3,(H,16,17);1H
InChIKeyDXQPHIBDSLEWIX-UHFFFAOYSA-N
MW414.67 g/mol
LogP2.20
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride (PubChem CID 119629327) has the molecular formula C13H20ClIN2O3 and a molecular weight of 414.67 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
PubChem CID119629327
Molecular FormulaC13H20ClIN2O3
Molecular Weight414.67 g/mol
Exact Mass414.02
IUPAC NameN-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(I)c(C(=O)NCC(C)(C)N)cc1OC.Cl
InChIInChI=1S/C13H19IN2O3.ClH/c1-13(2,15)7-16-12(17)8-5-10(18-3)11(19-4)6-9(8)14;/h5-6H,7,15H2,1-4H3,(H,16,17);1H
InChIKeyDXQPHIBDSLEWIX-UHFFFAOYSA-N
XLogP2.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzamide
CID 119630528
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
3-[(2-iodo-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119177603
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
N-[(2R)-2-(ethylamino)propyl]-2-iodo-4,5-dimethoxybenzamide;hydrochloride
CID 120653648
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-iodo-2-methoxybenzamide
CID 103839551

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride (CID 119629327) is N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride is COc1cc(I)c(C(=O)NCC(C)(C)N)cc1OC.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
The InChIKey is DXQPHIBDSLEWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O3.ClH/c1-13(2,15)7-16-12(17)8-5-10(18-3)11(19-4)6-9(8)14;/h5-6H,7,15H2,1-4H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride has a molecular weight of 414.67 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-iodo-4,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119629327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).