N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide

C21H26IN3O2 — CID 55369421

IUPACN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide
SMILESCCc1ccc(C(CNC(=O)CNC(=O)c2ccccc2I)N(C)C)cc1
InChIInChI=1S/C21H26IN3O2/c1-4-15-9-11-16(12-10-15)19(25(2)3)13-23-20(26)14-24-21(27)17-7-5-6-8-18(17)22/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVZKHONOTSFHQLW-UHFFFAOYSA-N
MW479.36 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide

N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 55369421) has the molecular formula C21H26IN3O2 and a molecular weight of 479.36 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide
PubChem CID55369421
Molecular FormulaC21H26IN3O2
Molecular Weight479.36 g/mol
Exact Mass479.11
IUPAC NameN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide
SMILESCCc1ccc(C(CNC(=O)CNC(=O)c2ccccc2I)N(C)C)cc1
InChIInChI=1S/C21H26IN3O2/c1-4-15-9-11-16(12-10-15)19(25(2)3)13-23-20(26)14-24-21(27)17-7-5-6-8-18(17)22/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVZKHONOTSFHQLW-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 53.00
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

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
N-[4-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-4-oxobutan-2-yl]benzamide
CID 24640240
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796434
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 8796440
2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
CID 55370135
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 60515711
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide (CID 55369421) is N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide is CCc1ccc(C(CNC(=O)CNC(=O)c2ccccc2I)N(C)C)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is VZKHONOTSFHQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26IN3O2/c1-4-15-9-11-16(12-10-15)19(25(2)3)13-23-20(26)14-24-21(27)17-7-5-6-8-18(17)22/h5-12,19H,4,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 479.36 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 55369421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).