2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride

C14H23ClIN3O — CID 119928883

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccccc1I)CC(C)(C)CN.Cl
InChIInChI=1S/C14H22IN3O.ClH/c1-14(2,9-16)10-18(3)8-13(19)17-12-7-5-4-6-11(12)15;/h4-7H,8-10,16H2,1-3H3,(H,17,19);1H
InChIKeyCPLLYJKYDDXNSP-UHFFFAOYSA-N
MW411.72 g/mol
LogP2.57
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride (PubChem CID 119928883) has the molecular formula C14H23ClIN3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
PubChem CID119928883
Molecular FormulaC14H23ClIN3O
Molecular Weight411.72 g/mol
Exact Mass411.06
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1ccccc1I)CC(C)(C)CN.Cl
InChIInChI=1S/C14H22IN3O.ClH/c1-14(2,9-16)10-18(3)8-13(19)17-12-7-5-4-6-11(12)15;/h4-7H,8-10,16H2,1-3H3,(H,17,19);1H
InChIKeyCPLLYJKYDDXNSP-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 79653209
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(4-chlorophenyl)acetamide;hydrochloride
CID 119928864
3-amino-N-(2-iodophenyl)-3-methylbutanamide
CID 64684765
N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 79651883
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 79652359
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 119928898
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride (CID 119928883) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride is CN(CC(=O)Nc1ccccc1I)CC(C)(C)CN.Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride?
The InChIKey is CPLLYJKYDDXNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN3O.ClH/c1-14(2,9-16)10-18(3)8-13(19)17-12-7-5-4-6-11(12)15;/h4-7H,8-10,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride has a molecular weight of 411.72 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119928883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).