N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide

C14H21IN2O — CID 79668481

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccccc1I
InChIInChI=1S/C14H21IN2O/c1-4-17(10-14(2,3)9-16)13(18)11-7-5-6-8-12(11)15/h5-8H,4,9-10,16H2,1-3H3
InChIKeyKLDJDZOQEKHTHS-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.74
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide (PubChem CID 79668481) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
PubChem CID79668481
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
SMILESCCN(CC(C)(C)CN)C(=O)c1ccccc1I
InChIInChI=1S/C14H21IN2O/c1-4-17(10-14(2,3)9-16)13(18)11-7-5-6-8-12(11)15/h5-8H,4,9-10,16H2,1-3H3
InChIKeyKLDJDZOQEKHTHS-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 81477271
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-hydroxybenzamide
CID 79668244
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methyl-2-phenylpropanamide
CID 79668566
N-(3-amino-2,2-dimethylpropyl)-2,4-dibromo-N-ethylbenzamide
CID 107940082
N-(3-amino-2,2-dimethylpropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79668674
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-phenylpropanamide
CID 79668144
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 79667751
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411
N-(3-amino-2,2-dimethylpropyl)-N-ethylquinoline-2-carboxamide
CID 79663389
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2,5-difluorobenzamide
CID 82773249

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide (CID 79668481) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide is CCN(CC(C)(C)CN)C(=O)c1ccccc1I.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide?
The InChIKey is KLDJDZOQEKHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-4-17(10-14(2,3)9-16)13(18)11-7-5-6-8-12(11)15/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide has a molecular weight of 360.24 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide is sourced from PubChem (CID 79668481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).