2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide

C13H18IN3O2 — CID 8712033

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyOKIQIKCBSSQJPP-UHFFFAOYSA-N
MW375.21 g/mol
LogP1.25
Rot. Bonds5

About 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide

2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide (PubChem CID 8712033) has the molecular formula C13H18IN3O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
PubChem CID8712033
Molecular FormulaC13H18IN3O2
Molecular Weight375.21 g/mol
Exact Mass375.04
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)CC(=O)N(C)C
InChIInChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKeyOKIQIKCBSSQJPP-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8756770
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
3-[[2-(4-iodoanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911438
[2-(dimethylamino)-2-oxoethyl]-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium
CID 8712032
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-(4-iodophenyl)-2-methylsulfonylacetamide
CID 47207302
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide (CID 8712033) is 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide is CN(CC(=O)Nc1ccc(I)cc1)CC(=O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is OKIQIKCBSSQJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2/c1-16(2)13(19)9-17(3)8-12(18)15-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 375.21 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 8712033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).