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

C15H22IN3O2 — CID 8756770

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H22IN3O2/c1-15(2,3)18-14(21)10-19(4)9-13(20)17-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyQUMMXLAKRJCNOR-UHFFFAOYSA-N
MW403.26 g/mol
LogP2.08
Rot. Bonds5

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

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide (PubChem CID 8756770) has the molecular formula C15H22IN3O2 and a molecular weight of 403.26 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
PubChem CID8756770
Molecular FormulaC15H22IN3O2
Molecular Weight403.26 g/mol
Exact Mass403.08
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(I)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H22IN3O2/c1-15(2,3)18-14(21)10-19(4)9-13(20)17-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyQUMMXLAKRJCNOR-UHFFFAOYSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.26
LogP ≤ 52.08
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-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-ethylphenyl)acetamide
CID 46614817
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide
CID 8712033
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 8766654
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 8756660
3-[[2-(4-iodoanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911438
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 8816582
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
N-(4-iodophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9102980
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(4-iodophenyl)acetamide
CID 91489705
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 8766646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide (CID 8756770) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide is CN(CC(=O)Nc1ccc(I)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
The InChIKey is QUMMXLAKRJCNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22IN3O2/c1-15(2,3)18-14(21)10-19(4)9-13(20)17-12-7-5-11(16)6-8-12/h5-8H,9-10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide has a molecular weight of 403.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 8756770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).